2-[4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]-3-oxidanyl-propanenitrile

Systemtic Name: 2-[4-(4-methylsulfanylphenyl)-5-phenyl-thiophen-3-yl]-3-oxidanyl-propanenitrile Openeye Name: 3-hydroxy-2-[4-(4-methylsulfanylphenyl)-5-phenyl-3-thienyl]propanenitrile CAS Name: 3-hydroxy-2-[4-[4-(methylthio)phenyl]-5-phenyl-3-thiophenyl]propanenitrile IUPAC Name: 3-hydroxy-2-[4-(4-methylsulfanylphenyl)-5-phenylthiophen-3-yl]propanenitrile Traditional Name: 3-hydroxy-2-[4-[4-(methylthio)phenyl]-5-phenyl-3-thienyl]propionitrile Formula: C20H17NOS2 MolecularWeight: 351.48508

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(SC=C2C(CO)C#N)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(SC=C2C(CO)C#N)C3=CC=CC=C3

InChI

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