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

Systemtic Name: ethyl 4-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]-3-keto-butyric acid ethyl ester Formula: C13H13ClN4O3S MolecularWeight: 340.78532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=NN1C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=NN1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H13ClN4O3S/c1-2-21-12(20)7-11(19)8-22-13-15-16-17-18(13)10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3