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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H11ClN6OS MolecularWeight: 370.81614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)Cl)C#N

InChI

InChI=1S/C16H11ClN6OS/c17-13-7-12(2-1-11(13)8-18)20-14(24)9-25-16-21-15(22-23-16)10-3-5-19-6-4-10/h1-7H,9H2,(H,20,24)(H,21,22,23)