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

Systemtic Name: 3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-(m-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-2-[(3-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-[(3-methylbenzyl)thio]quinazolin-4-one Formula: C23H23ClN4OS MolecularWeight: 438.97292

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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

Isomeric SMILES

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

InChI

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