N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-3-methoxy-benzamide

Systemtic Name: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-3-methoxy-benzamide Openeye Name: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-3-methoxy-benzamide CAS Name: N-[3-cyano-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]-3-methoxybenzamide IUPAC Name: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-3-methoxybenzamide Traditional Name: N-[3-cyano-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]-3-methoxy-benzamide Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F)C#N

InChI

InChI=1S/C22H15F3N2O2S/c1-29-18-6-2-4-14(11-18)21(28)27-17-8-9-20(15(10-17)13-26)30-19-7-3-5-16(12-19)22(23,24)25/h2-12H,1H3,(H,27,28)