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

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(3-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5OS/c22-16-5-4-8-18(13-16)27-20(15-9-11-23-12-10-15)25-26-21(27)29-14-19(28)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,24,28)