N-[4-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H15ClFN3O4S MolecularWeight: 459.877903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H15ClFN3O4S/c22-18-11-15(6-9-19(18)23)24-20(27)12-31-17-7-4-14(5-8-17)25-21(28)13-2-1-3-16(10-13)26(29)30/h1-11H,12H2,(H,24,27)(H,25,28)