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

Systemtic Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide Openeye Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-pentanamide CAS Name: 5-[[4-(2-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-propylpentanamide IUPAC Name: 5-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylpentanamide Traditional Name: 5-[[5-benzyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-propyl-valeramide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-3-16-25-23(29)15-9-10-17-30-24-27-26-22(18-20-12-5-4-6-13-20)28(24)21-14-8-7-11-19(21)2/h4-8,11-14H,3,9-10,15-18H2,1-2H3,(H,25,29)