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2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide

Catalog ID
STK026993
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H25ClN6O3S MW 549.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN6O3S/c1-27(2,3)20-12-10-19(11-13-20)25-31-32-26(33(25)21-7-5-4-6-8-21)38-17-24(35)30-29-16-18-9-14-22(28)23(15-18)34(36)37/h4-16H,17H2,1-3H3,(H,30,35)/b29-16+
InChIKey
PZZPKFGLTJVTKA-MUFRIFMGSA-N
Synonyms
303105-54-6
(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(4chloro3nitrobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4CHLORO3NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4CHLORO3NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
303105546
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC27H25ClN6O3Sc127(23)20121019(111320)25313226(33(25)217546821)381724(35)3029161891422(28)23(1518)34(36)37h416H17H213H3(H3035)b2916+
MFCD02641845
N((1E)2(4CHLORO3NITROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1ccc(c(c1)(N+)(=O)(O))Cl
STK026993
ZINC000002269167
ZINC101410315

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Available files

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