N-(3-chlorophenyl)-2-[(2-ethanoyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-[(2-ethanoyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[2-acetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[(2-acetyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[(2-acetyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[[2-acetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=NC=C2)SCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=NC=C2)SCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H14ClN5O2S/c1-11(24)23-17(21-16(22-23)12-5-7-19-8-6-12)26-10-15(25)20-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,20,25)