[3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [3-nitro-4-(3-pyridinylmethylthio)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-nitro-4-(3-pyridylmethylthio)phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S/c28-22(26-12-10-25(11-13-26)21-5-1-2-9-24-21)18-6-7-20(19(14-18)27(29)30)31-16-17-4-3-8-23-15-17/h1-9,14-15H,10-13,16H2