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4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL051271
SMILES COc1cc(ccc1OCc1ccccc1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2

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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 C23H22N6O2S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N6O2S/c1-30-20-12-16(10-11-19(20)31-14-15-6-3-2-4-7-15)13-24-29-22(27-28-23(29)32)21-17-8-5-9-18(17)25-26-21/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,25,26)(H,28,32)/b24-13+
InChIKey
JYKAZMJTGOJDGI-ZMOGYAJESA-N
Synonyms

(E)4((4(benzyloxy)3methoxybenzylidene)amino)5(1456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4(((E)(4(benzyloxy)3methoxyphenyl)methylidene)amino)5(2456tetrahydrocyclopenta(c)pyrazol3yl)4H124triazole3thiol
4((1E)2(3METHOXY4(PHENYLMETHOXY)PHENYL)1AZAVINYL)5(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)124TRIAZOLE3THIOL
4((E)(3methoxy4phenylmethoxyphenyl)methylideneamino)3(1456tetrahydrocyclopenta(c)pyrazol3yl)1H124triazole5thione
COC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3=NNC4=C3CCC4)OCC5=CC=CC=C5
COc1cc(ccc1OCc1ccccc1)C=Nn1c(S)nnc1c1(nH)nc2c1CCC2
COc1cc(ccc1OCc1ccccc1)C=Nn1c(S)nnc1c1n(nH)c2c1CCC2
InChI=1SC23H22N6O2Sc130201216(101119(20)3114156324715)13242922(272823(29)32)211785918(17)252621h24671013H58914H21H3(H2526)(H2832)b2413+
MFCD05734257
ZINC000009292592
ZINC33332410

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Available files

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