N-cyclohexyl-4-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-cyclohexyl-4-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-butanamide CAS Name: N-cyclohexyl-4-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylbutanamide Traditional Name: 4-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-butyramide Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCCCC(=O)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCCC(=O)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-20-10-8-15-23(18-20)30-24(19-21-11-4-2-5-12-21)28-29-26(30)32-17-9-16-25(31)27-22-13-6-3-7-14-22/h2,4-5,8,10-12,15,18,22H,3,6-7,9,13-14,16-17,19H2,1H3,(H,27,31)