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

Systemtic Name: ethyl 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-3-keto-butyric acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-2-26-18(25)13-17(24)14-27-20-22-21-19(15-9-5-3-6-10-15)23(20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3