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

Systemtic Name: ethyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-3-keto-butyric acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-4-22-16(13-10-19-14-9-7-6-8-12(13)14)20-21-18(22)26-15(11(3)23)17(24)25-5-2/h6-10,15,20H,4-5H2,1-3H3