3-[1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(C=C4)CSC5=NC=NN5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC=C(C=C4)CSC5=NC=NN5

InChI

InChI=1S/C22H22N6O2S/c29-20(16-7-5-15(6-8-16)13-31-21-23-14-24-26-21)27-11-9-17(10-12-27)28-19-4-2-1-3-18(19)25-22(28)30/h1-8,14,17H,9-13H2,(H,25,30)(H,23,24,26)