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

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-butanamide Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-butanamide CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropylbutanamide IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylbutanamide Traditional Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-butyramide Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)NC4CC4

InChI

InChI=1S/C23H26N4OS/c1-16-5-9-18(10-6-16)22-25-26-23(27(22)20-13-7-17(2)8-14-20)29-15-3-4-21(28)24-19-11-12-19/h5-10,13-14,19H,3-4,11-12,15H2,1-2H3,(H,24,28)