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

Systemtic Name: 3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-2-[(2,5-dimethylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-[(2,5-dimethylbenzyl)thio]quinazolin-4-one Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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