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

Systemtic Name: N-(3-methylbutyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-isopentyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-(3-methylbutyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-(3-methylbutyl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-isoamyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-19(2)16-17-26-23(30)11-7-8-18-31-25-28-27-24(21-14-12-20(3)13-15-21)29(25)22-9-5-4-6-10-22/h4-6,9-10,12-15,19H,7-8,11,16-18H2,1-3H3,(H,26,30)