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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C23H20ClN5OS MolecularWeight: 449.9558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN5OS/c24-19-8-10-20(11-9-19)29-22(18-7-4-13-25-15-18)27-28-23(29)31-16-21(30)26-14-12-17-5-2-1-3-6-17/h1-11,13,15H,12,14,16H2,(H,26,30)