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

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Openeye Name: (2-isopropylsulfanyl-3-pyridyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[2-(propan-2-ylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(isopropylthio)-3-pyridyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-14(2)27-18-17(4-3-9-20-18)19(24)22-12-10-21(11-13-22)15-5-7-16(8-6-15)23(25)26/h3-9,14H,10-13H2,1-2H3