ethyl 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]-3-keto-butyric acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C

InChI

InChI=1S/C17H18N4O3S/c1-4-24-16(23)14(10(2)22)25-17-20-19-15(21(17)3)12-9-18-13-8-6-5-7-11(12)13/h5-9,14,19H,4H2,1-3H3