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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-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=CN=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CN=CC=C3)C4=CC=CC=C4Cl

InChI

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