2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C23H22N4OS MolecularWeight: 402.51198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-2-9-19-14-21(28)25-23(24-19)29-16-18-15-27(20-12-7-4-8-13-20)26-22(18)17-10-5-3-6-11-17/h3-8,10-15H,2,9,16H2,1H3,(H,24,25,28)