4-[3-(1-methyl-5-phenyl-4-sulfanylidene-pyridin-3-yl)phenyl]sulfinylbutanenitrile

Systemtic Name: 4-[3-(1-methyl-5-phenyl-4-sulfanylidene-pyridin-3-yl)phenyl]sulfinylbutanenitrile Openeye Name: 4-[3-(1-methyl-5-phenyl-4-thioxo-3-pyridyl)phenyl]sulfinylbutanenitrile CAS Name: 4-[3-(1-methyl-5-phenyl-4-sulfanylidene-3-pyridinyl)phenyl]sulfinylbutanenitrile IUPAC Name: 4-[3-(1-methyl-5-phenyl-4-sulfanylidenepyridin-3-yl)phenyl]sulfinylbutanenitrile Traditional Name: 4-[3-(1-methyl-5-phenyl-4-thioxo-3-pyridyl)phenyl]sulfinylbutyronitrile Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C(=C1)C2=CC(=CC=C2)S(=O)CCCC#N)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C(=S)C(=C1)C2=CC(=CC=C2)S(=O)CCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2OS2/c1-24-15-20(17-8-3-2-4-9-17)22(26)21(16-24)18-10-7-11-19(14-18)27(25)13-6-5-12-23/h2-4,7-11,14-16H,5-6,13H2,1H3