5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyridine-2-thione

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyridine-2-thione Openeye Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione CAS Name: 5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-1H-pyridine-2-thione IUPAC Name: 5-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyridine-2-thione Traditional Name: 5-(4-benzylpiperazino)sulfonyl-1H-pyridine-2-thione Formula: C16H19N3O2S2 MolecularWeight: 349.47096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CNC(=S)C=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CNC(=S)C=C3

InChI

InChI=1S/C16H19N3O2S2/c20-23(21,15-6-7-16(22)17-12-15)19-10-8-18(9-11-19)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,17,22)