[4-(2-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-(2-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(2-chlorophenyl)-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(2-chlorophenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(2-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=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

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