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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-2-27-18(26)12-17(25)13-28-20-23-22-19(14-8-10-15(21)11-9-14)24(20)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3