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

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-butanamide Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-butanamide CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-butylbutanamide IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylbutanamide Traditional Name: 4-[[4,5-bis(p-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=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H30N4OS/c1-4-5-16-25-22(29)7-6-17-30-24-27-26-23(20-12-8-18(2)9-13-20)28(24)21-14-10-19(3)11-15-21/h8-15H,4-7,16-17H2,1-3H3,(H,25,29)