4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinoline

Systemtic Name: 4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinoline Openeye Name: 4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinoline CAS Name: 4-methyl-7-(methylthio)-2-[4-(4-nitrophenyl)-1-piperazinyl]quinoline IUPAC Name: 4-methyl-7-methylsulfanyl-2-[4-(4-nitrophenyl)piperazin-1-yl]quinoline Traditional Name: 4-methyl-7-(methylthio)-2-[4-(4-nitrophenyl)piperazino]quinoline Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)SC)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)SC)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-15-13-21(22-20-14-18(28-2)7-8-19(15)20)24-11-9-23(10-12-24)16-3-5-17(6-4-16)25(26)27/h3-8,13-14H,9-12H2,1-2H3