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

Systemtic Name: diethyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanedioate CAS Name: 2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanedioate Traditional Name: 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]malonic acid diethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C19H22N4O4S/c1-4-23-16(13-11-20-14-10-8-7-9-12(13)14)21-22-19(23)28-15(17(24)26-5-2)18(25)27-6-3/h7-11,15,21H,4-6H2,1-3H3