N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C18H16N6OS MolecularWeight: 364.42424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SC(C)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC(=NC=N1)SC(C)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N

InChI

InChI=1S/C18H16N6OS/c1-12-8-16(21-11-20-12)26-13(2)18(25)23-17-14(9-19)10-22-24(17)15-6-4-3-5-7-15/h3-8,10-11,13H,1-2H3,(H,23,25)