N-[3-cyano-4-(4-methoxyphenyl)sulfanyl-phenyl]-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)sulfanyl-phenyl]-2,6-bis(fluoranyl)benzamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)sulfanyl-phenyl]-2,6-difluoro-benzamide CAS Name: N-[3-cyano-4-[(4-methoxyphenyl)thio]phenyl]-2,6-difluorobenzamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)sulfanylphenyl]-2,6-difluorobenzamide Traditional Name: N-[3-cyano-4-[(4-methoxyphenyl)thio]phenyl]-2,6-difluoro-benzamide Formula: C21H14F2N2O2S MolecularWeight: 396.409866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C3=C(C=CC=C3F)F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C3=C(C=CC=C3F)F)C#N

InChI

InChI=1S/C21H14F2N2O2S/c1-27-15-6-8-16(9-7-15)28-19-10-5-14(11-13(19)12-24)25-21(26)20-17(22)3-2-4-18(20)23/h2-11H,1H3,(H,25,26)