4-fluoranyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-fluoranyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-fluoro-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-fluoro-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-3-nitro-benzamide Formula: C17H16FN3O4S MolecularWeight: 377.390043

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN3O4S/c1-20(10-16(22)19-13-5-3-4-6-15(13)26-2)17(23)11-7-8-12(18)14(9-11)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)