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

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-28-17-7-2-13(12-16(17)22(26)27)18(23)20-10-8-19(9-11-20)14-3-5-15(6-4-14)21(24)25/h2-7,12H,8-11H2,1H3