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

Systemtic Name: [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-(4-hydroxyphenyl)-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(4-hydroxyphenyl)piperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(4-hydroxyphenyl)piperazino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C18H19N3O4S MolecularWeight: 373.42616

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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)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-26-17-7-2-13(12-16(17)21(24)25)18(23)20-10-8-19(9-11-20)14-3-5-15(22)6-4-14/h2-7,12,22H,8-11H2,1H3