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

Systemtic Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [3-nitro-4-(3-pyridylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [3-nitro-4-(3-pyridinylmethylthio)phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [3-nitro-4-(pyridin-3-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [3-nitro-4-(3-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=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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