[4-(6-nitropyridin-3-yl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(6-nitro-3-pyridyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(6-nitro-3-pyridinyl)-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(6-nitro-3-pyridyl)piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S/c27-21(18-7-4-10-22-20(18)30-17-5-2-1-3-6-17)25-13-11-24(12-14-25)16-8-9-19(23-15-16)26(28)29/h1-10,15H,11-14H2