3-[3-phenyl-5-[4-(phenylsulfinyl)phenyl]-4-sulfanylidene-pyridin-1-yl]propanenitrile

Systemtic Name: 3-[3-phenyl-5-[4-(phenylsulfinyl)phenyl]-4-sulfanylidene-pyridin-1-yl]propanenitrile Openeye Name: 3-[3-[4-(benzenesulfinyl)phenyl]-5-phenyl-4-thioxo-1-pyridyl]propanenitrile CAS Name: 3-[3-[4-(benzenesulfinyl)phenyl]-5-phenyl-4-sulfanylidene-1-pyridinyl]propanenitrile IUPAC Name: 3-[3-[4-(benzenesulfinyl)phenyl]-5-phenyl-4-sulfanylidenepyridin-1-yl]propanenitrile Traditional Name: 3-[3-[4-(benzenesulfinyl)phenyl]-5-phenyl-4-thioxo-1-pyridyl]propionitrile Formula: C26H20N2OS2 MolecularWeight: 440.5798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C26H20N2OS2/c27-16-7-17-28-18-24(20-8-3-1-4-9-20)26(30)25(19-28)21-12-14-23(15-13-21)31(29)22-10-5-2-6-11-22/h1-6,8-15,18-19H,7,17H2