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

Systemtic Name: N-[[4-cyclohexyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[4-cyclohexyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[4-cyclohexyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[4-cyclohexyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[4-cyclohexyl-5-[(3-methylbenzyl)thio]-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:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N4O2S/c1-18-7-6-8-19(15-18)17-32-25-28-27-23(29(25)21-9-4-3-5-10-21)16-26-24(30)20-11-13-22(31-2)14-12-20/h6-8,11-15,21H,3-5,9-10,16-17H2,1-2H3,(H,26,30)