1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)piperazine

Systemtic Name: 1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)piperazine Openeye Name: 1-methyl-4-(3-nitro-4-phenylsulfanyl-phenyl)piperazine CAS Name: 1-methyl-4-[3-nitro-4-(phenylthio)phenyl]piperazine IUPAC Name: 1-methyl-4-(3-nitro-4-phenylsulfanylphenyl)piperazine Traditional Name: 1-methyl-4-[3-nitro-4-(phenylthio)phenyl]piperazine Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O2S/c1-18-9-11-19(12-10-18)14-7-8-17(16(13-14)20(21)22)23-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3