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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3)C4(CCCCC4)C#N

InChI

InChI=1S/C20H24N6OS/c1-25(20(14-21)9-3-2-4-10-20)17(27)13-28-19-24-23-18(26(19)16-5-6-16)15-7-11-22-12-8-15/h7-8,11-12,16H,2-6,9-10,13H2,1H3