3-(4-methylphenyl)sulfanyl-1-(3-nitrophenyl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-(3-nitrophenyl)propan-1-one Openeye Name: 1-(3-nitrophenyl)-3-(p-tolylsulfanyl)propan-1-one CAS Name: 3-[(4-methylphenyl)thio]-1-(3-nitrophenyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfanyl-1-(3-nitrophenyl)propan-1-one Traditional Name: 1-(3-nitrophenyl)-3-(p-tolylthio)propan-1-one Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-12-5-7-15(8-6-12)21-10-9-16(18)13-3-2-4-14(11-13)17(19)20/h2-8,11H,9-10H2,1H3