4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C23H18ClN5O2S MolecularWeight: 463.93932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C23H18ClN5O2S/c24-17-7-4-10-19(12-17)29-22(16-6-5-11-25-14-16)27-28-23(29)32-15-20(30)13-21(31)26-18-8-2-1-3-9-18/h1-12,14H,13,15H2,(H,26,31)