[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3S/c1-26-17-6-5-13(11-16(17)22(24)25)18(23)21-9-7-20(8-10-21)15-4-2-3-14(19)12-15/h2-6,11-12H,7-10H2,1H3