2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]ethanenitrile

Systemtic Name: 2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]ethanenitrile Openeye Name: 2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenyl-3-thienyl]acetonitrile CAS Name: 2-[2-(hydroxymethyl)-4-[4-(methylthio)phenyl]-5-phenyl-3-thiophenyl]acetonitrile IUPAC Name: 2-[2-(hydroxymethyl)-4-(4-methylsulfanylphenyl)-5-phenylthiophen-3-yl]acetonitrile Traditional Name: 2-[2-methylol-4-[4-(methylthio)phenyl]-5-phenyl-3-thienyl]acetonitrile Formula: C20H17NOS2 MolecularWeight: 351.48508

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(SC(=C2CC#N)CO)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(SC(=C2CC#N)CO)C3=CC=CC=C3

InChI

InChI=1S/C20H17NOS2/c1-23-16-9-7-14(8-10-16)19-17(11-12-21)18(13-22)24-20(19)15-5-3-2-4-6-15/h2-10,22H,11,13H2,1H3