5-cyclopentyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-cyclopentyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-cyclopentyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-cyclopentyl-3-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-cyclopentyl-3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-cyclopentyl-3-[(1,3-diphenylpyrazol-4-yl)methylthio]-1H-1,2,4-triazole Formula: C23H23N5S MolecularWeight: 401.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5S/c1-3-9-17(10-4-1)21-19(15-28(27-21)20-13-5-2-6-14-20)16-29-23-24-22(25-26-23)18-11-7-8-12-18/h1-6,9-10,13-15,18H,7-8,11-12,16H2,(H,24,25,26)