3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]quinazolin-4-one CAS Name: 3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]quinazolin-4-one Traditional Name: 2-(benzylthio)-3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]quinazolin-4-one Formula: C23H23ClN4OS MolecularWeight: 438.97292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)C)Cl

InChI

InChI=1S/C23H23ClN4OS/c1-16-21(24)17(2)28(26-16)14-8-13-27-22(29)19-11-6-7-12-20(19)25-23(27)30-15-18-9-4-3-5-10-18/h3-7,9-12H,8,13-15H2,1-2H3