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N-{2-methyl-1-[5-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]propyl}benzamide

Catalog ID
STK130977
SMILES C=CCn1c(SCC(=O)Nc2scc(n2)C)nnc1C(C(C)C)NC(=O)c1ccccc1

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H26N6O2S2 MW 470.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O2S2/c1-5-11-28-19(18(14(2)3)25-20(30)16-9-7-6-8-10-16)26-27-22(28)32-13-17(29)24-21-23-15(4)12-31-21/h5-10,12,14,18H,1,11,13H2,2-4H3,(H,25,30)(H,23,24,29)
InChIKey
KNJYPPIDUOFCFU-UHFFFAOYSA-N
Synonyms

CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC=C)C(C(C)C)NC(=O)C3=CC=CC=C3
InChI=1SC22H26N6O2S2c15112819(18(14(2)3)2520(30)1697681016)262722(28)321317(29)24212315(4)123121h510121418H11113H224H3(H2530)(H232429)
MFCD04391591
N((1R)2METHYL1(5((2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)PROPYL)BENZAMIDE
N(1(4ALLYL5((2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
N(1(4ALLYL5((2KETO2((4METHYLTHIAZOL2YL)AMINO)ETHYL)THIO)124TRIAZOL3YL)2METHYLPROPYL)BENZAMIDE
N(2METHYL1(5((2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)PROPYL)BENZAMIDE
N(2METHYL1(5((2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL)4PROP2EN1YL4H124TRIAZOL3YL)PROPYL)BENZAMIDE
N(2METHYL1(5((2((4METHYL2THIAZOLYL)AMINO)2OXOETHYL)THIO)4PROP2ENYL124TRIAZOL3YL)PROPYL)BENZAMIDE
N(2METHYL1(5(2((4METHYL13THIAZOL2YL)AMINO)2OXIDANYLIDENEETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)PROPYL)BENZAMIDE
N(2METHYL1(5(2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)PROPYL)BENZAMIDE
ZINC000002146457
ZINC000002146459

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Available files

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