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

Systemtic Name: N-butan-2-yl-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-butanamide CAS Name: N-butan-2-yl-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-butan-2-yl-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: 4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-butyramide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-4-18(3)24-21(28)11-8-16-29-23-26-25-22(19-9-6-5-7-10-19)27(23)20-14-12-17(2)13-15-20/h5-7,9-10,12-15,18H,4,8,11,16H2,1-3H3,(H,24,28)