4-[3-oxidanyl-3-(1-phenyl-2-sulfanylidene-pyridin-3-yl)propanoyl]benzenecarbonitrile

Systemtic Name: 4-[3-oxidanyl-3-(1-phenyl-2-sulfanylidene-pyridin-3-yl)propanoyl]benzenecarbonitrile Openeye Name: 4-[3-hydroxy-3-(1-phenyl-2-thioxo-3-pyridyl)propanoyl]benzonitrile CAS Name: 4-[3-hydroxy-1-oxo-3-(1-phenyl-2-sulfanylidene-3-pyridinyl)propyl]benzonitrile IUPAC Name: 4-[3-hydroxy-3-(1-phenyl-2-sulfanylidenepyridin-3-yl)propanoyl]benzonitrile Traditional Name: 4-[3-hydroxy-3-(1-phenyl-2-thioxo-3-pyridyl)propanoyl]benzonitrile Formula: C21H16N2O2S MolecularWeight: 360.42894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CC=C(C2=S)C(CC(=O)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=CC=C(C2=S)C(CC(=O)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H16N2O2S/c22-14-15-8-10-16(11-9-15)19(24)13-20(25)18-7-4-12-23(21(18)26)17-5-2-1-3-6-17/h1-12,20,25H,13H2