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

Systemtic Name: 3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-2-[(2-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(2-methylbenzyl)thio]quinazolin-4-one Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCN4C(=C(C(=N4)C)Cl)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCCN4C(=C(C(=N4)C)Cl)C

InChI

InChI=1S/C24H25ClN4OS/c1-16-9-4-5-10-19(16)15-31-24-26-21-12-7-6-11-20(21)23(30)28(24)13-8-14-29-18(3)22(25)17(2)27-29/h4-7,9-12H,8,13-15H2,1-3H3