N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-1-phenyl-cyclohexane-1-carboxamide

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-1-phenyl-cyclohexane-1-carboxamide Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-1-phenyl-cyclohexanecarboxamide CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-1-phenyl-1-cyclohexanecarboxamide IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-1-phenylcyclohexane-1-carboxamide Traditional Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-1-phenyl-cyclohexanecarboxamide Formula: C21H31N5OS MolecularWeight: 401.56874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN(C)C)CNC(=O)C2(CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCN(C)C)CNC(=O)C2(CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H31N5OS/c1-25(2)14-15-28-20-24-23-18(26(20)3)16-22-19(27)21(12-8-5-9-13-21)17-10-6-4-7-11-17/h4,6-7,10-11H,5,8-9,12-16H2,1-3H3,(H,22,27)