7-ethyl-4-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[[5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[[5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C29H24N4O2S MolecularWeight: 492.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6=CC=CC(=C6)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6=CC=CC(=C6)C

InChI

InChI=1S/C29H24N4O2S/c1-3-19-11-12-22-20(15-27(34)35-26(22)14-19)17-36-29-32-31-28(33(29)21-8-6-7-18(2)13-21)24-16-30-25-10-5-4-9-23(24)25/h4-16,31H,3,17H2,1-2H3