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

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

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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

Isomeric SMILES

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

InChI

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