N-tert-butyl-5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide

Systemtic Name: N-tert-butyl-5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-pentanamide CAS Name: N-tert-butyl-5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: 5-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylpentanamide Traditional Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-valeramide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCCC(=O)NC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCCC(=O)NC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N4OS/c1-19-12-8-9-15-21(19)29-22(18-20-13-6-5-7-14-20)27-28-24(29)31-17-11-10-16-23(30)26-25(2,3)4/h5-9,12-15H,10-11,16-18H2,1-4H3,(H,26,30)