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

Systemtic Name: ethyl 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3S/c1-2-21-12(20)7-11(19)8-22-14-16-13(17-18-14)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,17,18)