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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C)SCCCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C)SCCCC(=O)NC4CCCCC4

InChI

InChI=1S/C26H32N4OS/c1-19-14-16-21(17-15-19)25-28-29-26(30(25)23-12-7-6-9-20(23)2)32-18-8-13-24(31)27-22-10-4-3-5-11-22/h6-7,9,12,14-17,22H,3-5,8,10-11,13,18H2,1-2H3,(H,27,31)