[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [3-nitro-4-(p-tolylsulfanyl)phenyl]-(1-piperidyl)methanone CAS Name: [4-[(4-methylphenyl)thio]-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [3-nitro-4-(p-tolylthio)phenyl]-piperidino-methanone Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O3S/c1-14-5-8-16(9-6-14)25-18-10-7-15(13-17(18)21(23)24)19(22)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12H2,1H3