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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)C4=CC=C(C=C4)Cl

InChI

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