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

Systemtic Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(2-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(2-methylbenzyl)thio]quinazolin-4-one Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4OS/c1-17-9-4-5-10-20(17)16-30-24-25-22-12-7-6-11-21(22)23(29)27(24)13-8-14-28-19(3)15-18(2)26-28/h4-7,9-12,15H,8,13-14,16H2,1-3H3