diethyl 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate

Systemtic Name: diethyl 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate CAS Name: 2-[[4-(2,5-dimethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Traditional Name: 2-[[4-(2,5-dimethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]malonic acid diethyl ester Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H26N4O6S/c1-5-34-23(30)21(24(31)35-6-2)36-25-28-27-22(17-14-26-18-10-8-7-9-16(17)18)29(25)19-13-15(32-3)11-12-20(19)33-4/h7-14,21,27H,5-6H2,1-4H3