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

Systemtic Name: diethyl 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate CAS Name: 2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Traditional Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]malonic acid diethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

InChI

InChI=1S/C20H24N4O5S/c1-4-28-18(25)16(19(26)29-5-2)30-20-23-22-17(24(20)10-11-27-3)14-12-21-15-9-7-6-8-13(14)15/h6-9,12,16,22H,4-5,10-11H2,1-3H3