N-(3-cyanophenyl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-cyanophenyl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3-cyanophenyl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3-cyanophenyl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-cyanophenyl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-cyanophenyl)-3-(2-pyrimidylthio)propionamide Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4OS/c15-10-11-3-1-4-12(9-11)18-13(19)5-8-20-14-16-6-2-7-17-14/h1-4,6-7,9H,5,8H2,(H,18,19)