N-(3-cyanophenyl)-3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(3-cyanophenyl)-3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-cyanophenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(3-cyanophenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-cyanophenyl)-3-[(6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCSC2=NC=CC(=O)N2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCSC2=NC=CC(=O)N2)C#N

InChI

InChI=1S/C14H12N4O2S/c15-9-10-2-1-3-11(8-10)17-13(20)5-7-21-14-16-6-4-12(19)18-14/h1-4,6,8H,5,7H2,(H,17,20)(H,16,18,19)