N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-phenyl-3-pyrazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-phenylpyrazol-3-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-phenyl-pyrazol-3-yl]-3-(phenylthio)propionamide Formula: C23H21N5O2S MolecularWeight: 431.51014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-16-14-22(30)26-23(24-16)28-20(15-19(27-28)17-8-4-2-5-9-17)25-21(29)12-13-31-18-10-6-3-7-11-18/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,24,26,30)