N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5OS/c1-10-7-11(2)15(13(18)8-10)20-14(24)9-25-17-21-16(22-23-17)12-3-5-19-6-4-12/h3-8H,9H2,1-2H3,(H,20,24)(H,21,22,23)