2-(4-methylsulfanyl-2-nitro-phenoxy)-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methylsulfanyl-2-nitro-phenoxy)-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methylsulfanyl-2-nitro-phenoxy)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-(methylthio)-2-nitrophenoxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-methylsulfanyl-2-nitrophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(methylthio)-2-nitro-phenoxy]-1-(4-phenylpiperazino)ethanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-27-16-7-8-18(17(13-16)22(24)25)26-14-19(23)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3