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

Systemtic Name: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenyl-thiophen-3-yl]-4-methyl-benzamide Openeye Name: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenyl-3-thienyl]-4-methyl-benzamide CAS Name: N-[2-cyano-5-(cyanomethylthio)-4-phenyl-3-thiophenyl]-4-methylbenzamide IUPAC Name: N-[2-cyano-5-(cyanomethylsulfanyl)-4-phenylthiophen-3-yl]-4-methylbenzamide Traditional Name: N-[2-cyano-5-(cyanomethylthio)-4-phenyl-3-thienyl]-4-methyl-benzamide Formula: C21H15N3OS2 MolecularWeight: 389.4933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2C3=CC=CC=C3)SCC#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(SC(=C2C3=CC=CC=C3)SCC#N)C#N

InChI

InChI=1S/C21H15N3OS2/c1-14-7-9-16(10-8-14)20(25)24-19-17(13-23)27-21(26-12-11-22)18(19)15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,24,25)