2-[3-phenyl-5-(3-propoxyphenyl)sulfinyl-4-sulfanylidene-pyridin-1-yl]ethanenitrile

Systemtic Name: 2-[3-phenyl-5-(3-propoxyphenyl)sulfinyl-4-sulfanylidene-pyridin-1-yl]ethanenitrile Openeye Name: 2-[3-phenyl-5-(3-propoxyphenyl)sulfinyl-4-thioxo-1-pyridyl]acetonitrile CAS Name: 2-[3-phenyl-5-(3-propoxyphenyl)sulfinyl-4-sulfanylidene-1-pyridinyl]acetonitrile IUPAC Name: 2-[3-phenyl-5-(3-propoxyphenyl)sulfinyl-4-sulfanylidenepyridin-1-yl]acetonitrile Traditional Name: 2-[3-phenyl-5-(3-propoxyphenyl)sulfinyl-4-thioxo-1-pyridyl]acetonitrile Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC=C1)S(=O)C2=CN(C=C(C2=S)C3=CC=CC=C3)CC#N

Isomeric SMILES

CCCOC1=CC(=CC=C1)S(=O)C2=CN(C=C(C2=S)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C22H20N2O2S2/c1-2-13-26-18-9-6-10-19(14-18)28(25)21-16-24(12-11-23)15-20(22(21)27)17-7-4-3-5-8-17/h3-10,14-16H,2,12-13H2,1H3