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

Systemtic Name: N-cyclohexyl-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-cyclohexyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-cyclohexyl-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-cyclohexyl-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-cyclohexyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide 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=C3)SCCCCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)NC4CCCCC4

InChI

InChI=1S/C26H32N4OS/c1-20-15-17-21(18-16-20)25-28-29-26(30(25)23-12-6-3-7-13-23)32-19-9-8-14-24(31)27-22-10-4-2-5-11-22/h3,6-7,12-13,15-18,22H,2,4-5,8-11,14,19H2,1H3,(H,27,31)