N-[[4-cyclohexyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[4-cyclohexyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-cyclohexyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-cyclohexyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-cyclohexyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-cyclohexyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N4O2S/c1-18(19-9-5-3-6-10-19)32-25-28-27-23(29(25)21-11-7-4-8-12-21)17-26-24(30)20-13-15-22(31-2)16-14-20/h3,5-6,9-10,13-16,18,21H,4,7-8,11-12,17H2,1-2H3,(H,26,30)