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

Systemtic Name: ethyl 3-oxidanylidene-4-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanoate CAS Name: 3-oxo-4-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-keto-butyric acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-2-27-19(26)13-18(25)15-28-21-23-22-20(17-11-7-4-8-12-17)24(21)14-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3