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

Systemtic Name: N-[4-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(2-fluoroanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H16FN3O4S/c22-18-6-1-2-7-19(18)24-20(26)13-30-17-10-8-15(9-11-17)23-21(27)14-4-3-5-16(12-14)25(28)29/h1-12H,13H2,(H,23,27)(H,24,26)