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

Systemtic Name: ethyl 3-oxidanylidene-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: ethyl 3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 3-keto-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]butyric acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3S/c1-2-20-12(19)8-11(18)9-21-14-15-13(16-17-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,16,17)