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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4C(=C(C(=N4)C)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4C(=C(C(=N4)C)Cl)C

InChI

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