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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NNC(=N1)C2=CC=NC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CSC1=NNC(=N1)C2=CC=NC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C17H20N6OS/c1-23(17(12-18)7-3-2-4-8-17)14(24)11-25-16-20-15(21-22-16)13-5-9-19-10-6-13/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,21,22)