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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H23N5OS2 MolecularWeight: 401.54882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H23N5OS2/c1-14-22-23-19(24(14)15-7-3-2-4-8-15)27-13-18(25)21-16-9-5-6-10-17(16)26-12-11-20/h5-6,9-10,15H,2-4,7-8,12-13H2,1H3,(H,21,25)