N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenyl-thiophen-3-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenyl-thiophen-3-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenyl-3-thienyl]-4-fluoro-benzamide CAS Name: N-[2-cyano-5-(cyanomethylthio)-4-phenyl-3-thiophenyl]-4-fluorobenzamide IUPAC Name: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-4-fluorobenzamide Traditional Name: N-[2-cyano-5-(cyanomethylthio)-4-phenyl-3-thienyl]-4-fluoro-benzamide Formula: C20H12FN3OS2 MolecularWeight: 393.457183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=C2NC(=O)C3=CC=C(C=C3)F)C#N)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=C2NC(=O)C3=CC=C(C=C3)F)C#N)SCC#N

InChI

InChI=1S/C20H12FN3OS2/c21-15-8-6-14(7-9-15)19(25)24-18-16(12-23)27-20(26-11-10-22)17(18)13-4-2-1-3-5-13/h1-9H,11H2,(H,24,25)