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

Systemtic Name: diethyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate CAS Name: 2-[[5-(3-indolylidene)-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Traditional Name: 2-[[5-indol-3-ylidene-4-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]malonic acid diethyl ester Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O5S/c1-4-32-22(29)20(23(30)33-5-2)34-24-27-26-21(18-14-25-19-12-7-6-11-17(18)19)28(24)15-9-8-10-16(13-15)31-3/h6-14,20,26H,4-5H2,1-3H3