2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenylacetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[4-(3-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenyl-acetamide Formula: C27H20ClN5OS MolecularWeight: 497.9986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C27H20ClN5OS/c28-21-10-7-15-24(17-21)33-26(20-9-8-16-29-18-20)30-31-27(33)35-19-25(34)32(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-18H,19H2