[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-(4-isopentylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [4-(5-bromo-2-pyridyl)piperazino]-[4-(isoamylthio)-3-nitro-phenyl]methanone Formula: C21H25BrN4O3S MolecularWeight: 493.4172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H25BrN4O3S/c1-15(2)7-12-30-19-5-3-16(13-18(19)26(28)29)21(27)25-10-8-24(9-11-25)20-6-4-17(22)14-23-20/h3-6,13-15H,7-12H2,1-2H3