3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one CAS Name: 3-[2-(4-chloro-1-pyrazolyl)ethyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one Traditional Name: 2-(benzylthio)-3-[2-(4-chloropyrazol-1-yl)ethyl]quinazolin-4-one Formula: C20H17ClN4OS MolecularWeight: 396.89318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C20H17ClN4OS/c21-16-12-22-24(13-16)10-11-25-19(26)17-8-4-5-9-18(17)23-20(25)27-14-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2