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

Systemtic Name: [4-[(3-bromophenyl)methylsulfanyl]-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[(3-bromophenyl)methylsulfanyl]-3-nitro-phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-[(3-bromophenyl)methylthio]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-[(3-bromophenyl)methylsulfanyl]-3-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(3-bromobenzyl)thio]-3-nitro-phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C23H21BrN4O3S MolecularWeight: 513.40684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN4O3S/c24-19-5-3-4-17(14-19)16-32-21-8-7-18(15-20(21)28(30)31)23(29)27-12-10-26(11-13-27)22-6-1-2-9-25-22/h1-9,14-15H,10-13,16H2