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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-23(18(13-19)10-6-3-7-11-18)15(24)12-25-17-20-16(21-22-17)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,20,21,22)