3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-(o-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[2-(4-chloro-1-pyrazolyl)ethyl]-2-[(2-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(2-methylbenzyl)thio]quinazolin-4-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-15-6-2-3-7-16(15)14-28-21-24-19-9-5-4-8-18(19)20(27)26(21)11-10-25-13-17(22)12-23-25/h2-9,12-13H,10-11,14H2,1H3