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

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-butanamide Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-butanamide CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylbutanamide IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylbutanamide Traditional Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-butyramide Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)NC4CCCCC4

InChI

InChI=1S/C26H32N4OS/c1-19-10-14-21(15-11-19)25-28-29-26(30(25)23-16-12-20(2)13-17-23)32-18-6-9-24(31)27-22-7-4-3-5-8-22/h10-17,22H,3-9,18H2,1-2H3,(H,27,31)