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

Systemtic Name: ethyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-3-27-19(26)17(13(2)25)28-20-23-22-18(14-9-11-15(21)12-10-14)24(20)16-7-5-4-6-8-16/h4-12,17H,3H2,1-2H3