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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS/c1-11-4-5-13(7-14(11)17)22-10-19-21-16(22)24-9-15(23)20-12-3-2-6-18-8-12/h2-8,10H,9H2,1H3,(H,20,23)