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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2C)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2C)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-3-4-16-25-23(29)15-10-17-30-24-27-26-22(18-20-12-6-5-7-13-20)28(24)21-14-9-8-11-19(21)2/h5-9,11-14H,3-4,10,15-18H2,1-2H3,(H,25,29)