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

Systemtic Name: methyl 4-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=C(C=C5)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H19ClN4O2S/c1-32-24(31)17-8-6-16(7-9-17)15-33-25-29-28-23(30(25)19-12-10-18(26)11-13-19)21-14-27-22-5-3-2-4-20(21)22/h2-14,28H,15H2,1H3