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

Systemtic Name: [3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [3-nitro-4-(4-pyridylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [3-nitro-4-(pyridin-4-ylmethylthio)phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [3-nitro-4-(pyridin-4-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [3-nitro-4-(4-pyridylmethylthio)phenyl]-(4-phenylpiperazino)methanone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SCC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SCC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O3S/c28-23(26-14-12-25(13-15-26)20-4-2-1-3-5-20)19-6-7-22(21(16-19)27(29)30)31-17-18-8-10-24-11-9-18/h1-11,16H,12-15,17H2