3-[[5-ethyl-4-oxidanylidene-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile

Systemtic Name: 3-[[5-ethyl-4-oxidanylidene-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile Openeye Name: 3-[[6-[(3-allyloxyphenyl)methyl]-5-ethyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]benzonitrile CAS Name: 3-[[5-ethyl-4-oxo-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-2-yl]thio]benzonitrile IUPAC Name: 3-[[5-ethyl-4-oxo-6-[(3-prop-2-enoxyphenyl)methyl]-1H-pyrimidin-2-yl]sulfanyl]benzonitrile Traditional Name: 3-[[6-(3-allyloxybenzyl)-5-ethyl-4-keto-1H-pyrimidin-2-yl]thio]benzonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2=CC=CC(=C2)C#N)CC3=CC(=CC=C3)OCC=C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2=CC=CC(=C2)C#N)CC3=CC(=CC=C3)OCC=C

InChI

InChI=1S/C23H21N3O2S/c1-3-11-28-18-9-5-7-16(12-18)14-21-20(4-2)22(27)26-23(25-21)29-19-10-6-8-17(13-19)15-24/h3,5-10,12-13H,1,4,11,14H2,2H3,(H,25,26,27)