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

Systemtic Name: methyl 4-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C27H24N4O3S/c1-3-34-21-14-12-20(13-15-21)31-25(23-16-28-24-7-5-4-6-22(23)24)29-30-27(31)35-17-18-8-10-19(11-9-18)26(32)33-2/h4-16,29H,3,17H2,1-2H3