1-[4-[(2-methylsulfanylphenyl)amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(2-methylsulfanylphenyl)amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(2-methylsulfanylanilino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(methylthio)anilino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(2-methylsulfanylanilino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-(methylthio)anilino]-3-nitro-phenyl]ethanone Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O3S/c1-10(18)11-7-8-12(14(9-11)17(19)20)16-13-5-3-4-6-15(13)21-2/h3-9,16H,1-2H3