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

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c27-22(20-7-4-12-23-21(20)30-19-5-2-1-3-6-19)25-15-13-24(14-16-25)17-8-10-18(11-9-17)26(28)29/h1-12H,13-16H2