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

Systemtic Name: 2-[[4-(4-chloranyl-3-methyl-phenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(4-chloro-3-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(4-chloro-3-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(4-chloro-3-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(4-chloro-3-methyl-phenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CN=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)C4=CN=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5OS/c1-15-12-18(9-10-19(15)23)28-21(16-6-5-11-24-13-16)26-27-22(28)30-14-20(29)25-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,25,29)