N-[4-[cyano(phenyl)methyl]phenyl]-2-(3-fluorophenyl)-4-methylsulfanyl-benzamide

Systemtic Name: N-[4-[cyano(phenyl)methyl]phenyl]-2-(3-fluorophenyl)-4-methylsulfanyl-benzamide Openeye Name: N-[4-[cyano(phenyl)methyl]phenyl]-2-(3-fluorophenyl)-4-methylsulfanyl-benzamide CAS Name: N-[4-[cyano(phenyl)methyl]phenyl]-2-(3-fluorophenyl)-4-(methylthio)benzamide IUPAC Name: N-[4-[cyano(phenyl)methyl]phenyl]-2-(3-fluorophenyl)-4-methylsulfanylbenzamide Traditional Name: N-[4-[cyano(phenyl)methyl]phenyl]-2-(3-fluorophenyl)-4-(methylthio)benzamide Formula: C28H21FN2OS MolecularWeight: 452.542543

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C#N)C3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C(C#N)C3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H21FN2OS/c1-33-24-14-15-25(26(17-24)21-8-5-9-22(29)16-21)28(32)31-23-12-10-20(11-13-23)27(18-30)19-6-3-2-4-7-19/h2-17,27H,1H3,(H,31,32)