1-(5-nitropyridin-2-yl)-4-(2-phenylsulfanylethyl)piperazine

Systemtic Name: 1-(5-nitropyridin-2-yl)-4-(2-phenylsulfanylethyl)piperazine Openeye Name: 1-(5-nitro-2-pyridyl)-4-(2-phenylsulfanylethyl)piperazine CAS Name: 1-(5-nitro-2-pyridinyl)-4-[2-(phenylthio)ethyl]piperazine IUPAC Name: 1-(5-nitropyridin-2-yl)-4-(2-phenylsulfanylethyl)piperazine Traditional Name: 1-(5-nitro-2-pyridyl)-4-[2-(phenylthio)ethyl]piperazine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2S/c22-21(23)15-6-7-17(18-14-15)20-10-8-19(9-11-20)12-13-24-16-4-2-1-3-5-16/h1-7,14H,8-13H2