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

Systemtic Name: N-cyclohexyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-butanamide CAS Name: N-cyclohexyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylbutanamide Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-cyclohexyl-butyramide Formula: C25H30N4OS MolecularWeight: 434.5969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c30-24(26-21-13-6-2-7-14-21)17-10-18-31-25-28-27-23(19-20-11-4-1-5-12-20)29(25)22-15-8-3-9-16-22/h1,3-5,8-9,11-12,15-16,21H,2,6-7,10,13-14,17-19H2,(H,26,30)