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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=CN2C3=CN=CC=C3)Cl

InChI

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