4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C15H12FN3O4S MolecularWeight: 349.336883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C15H12FN3O4S/c16-10-2-4-11(5-3-10)18-14(20)8-24-13-6-1-9(15(17)21)7-12(13)19(22)23/h1-7H,8H2,(H2,17,21)(H,18,20)