3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(4-chloro-1-pyrazolyl)ethyl]-2-[(2,5-dimethylphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(2,5-dimethylbenzyl)thio]quinazolin-4-one Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C22H21ClN4OS/c1-15-7-8-16(2)17(11-15)14-29-22-25-20-6-4-3-5-19(20)21(28)27(22)10-9-26-13-18(23)12-24-26/h3-8,11-13H,9-10,14H2,1-2H3