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

Systemtic Name: 4-[3-oxidanyl-3-(1-propan-2-yl-2-sulfanylidene-pyridin-3-yl)propanoyl]benzenecarbonitrile Openeye Name: 4-[3-hydroxy-3-(1-isopropyl-2-thioxo-3-pyridyl)propanoyl]benzonitrile CAS Name: 4-[3-hydroxy-1-oxo-3-(1-propan-2-yl-2-sulfanylidene-3-pyridinyl)propyl]benzonitrile IUPAC Name: 4-[3-hydroxy-3-(1-propan-2-yl-2-sulfanylidenepyridin-3-yl)propanoyl]benzonitrile Traditional Name: 4-[3-hydroxy-3-(1-isopropyl-2-thioxo-3-pyridyl)propanoyl]benzonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC=C(C1=S)C(CC(=O)C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC(C)N1C=CC=C(C1=S)C(CC(=O)C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C18H18N2O2S/c1-12(2)20-9-3-4-15(18(20)23)17(22)10-16(21)14-7-5-13(11-19)6-8-14/h3-9,12,17,22H,10H2,1-2H3