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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N)C4=CC=NC=C4

InChI

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