[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3S/c1-13-3-5-15(20)12-16(13)21-7-9-22(10-8-21)19(24)14-4-6-18(27-2)17(11-14)23(25)26/h3-6,11-12H,7-10H2,1-2H3