N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-1-oxidanylidene-4-phenyl-isochromene-3-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-1-oxidanylidene-4-phenyl-isochromene-3-carboxamide Openeye Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-1-oxo-4-phenyl-isochromene-3-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]-5-nitrophenyl]-1-oxo-4-phenyl-2-benzopyran-3-carboxamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitrophenyl]-1-oxo-4-phenylisochromene-3-carboxamide Traditional Name: N-[3-[(4-fluorophenyl)thio]-5-nitro-phenyl]-1-keto-4-phenyl-isochromene-3-carboxamide Formula: C28H17FN2O5S MolecularWeight: 512.508383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C28H17FN2O5S/c29-18-10-12-21(13-11-18)37-22-15-19(14-20(16-22)31(34)35)30-27(32)26-25(17-6-2-1-3-7-17)23-8-4-5-9-24(23)28(33)36-26/h1-16H,(H,30,32)