methyl 3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C22H20N4O2S/c1-28-21(27)15-6-4-5-14(11-15)13-29-22-25-24-20(26(22)16-9-10-16)18-12-23-19-8-3-2-7-17(18)19/h2-8,11-12,16,24H,9-10,13H2,1H3