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

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(4-bromophenyl)thio]-3-nitro-phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H19BrN4O3S/c23-17-5-7-18(8-6-17)31-20-9-4-16(15-19(20)27(29)30)22(28)26-13-11-25(12-14-26)21-3-1-2-10-24-21/h1-10,15H,11-14H2