(4-methylsulfanyl-3-nitro-phenyl)-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-(4-phenylpiperazin-1-yl)methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-25-17-8-7-14(13-16(17)21(23)24)18(22)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3