2-(5-nitropyridin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(5-nitropyridin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(5-nitro-2-pyridinyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(5-nitropyridin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-nitro-2-pyridyl)thio]-1-(4-phenylpiperazino)ethanone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c22-17(13-25-16-7-6-15(12-18-16)21(23)24)20-10-8-19(9-11-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2