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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3)Cl

InChI

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