4-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H14FN3O4S MolecularWeight: 363.363463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C16H14FN3O4S/c1-9-2-4-12(11(17)6-9)19-15(21)8-25-14-5-3-10(16(18)22)7-13(14)20(23)24/h2-7H,8H2,1H3,(H2,18,22)(H,19,21)