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

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(4-chloro-1-pyrazolyl)ethyl]-2-[(4-fluorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(4-fluorobenzyl)thio]quinazolin-4-one Formula: C20H16ClFN4OS MolecularWeight: 414.883643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)F)CCN4C=C(C=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)F)CCN4C=C(C=N4)Cl

InChI

InChI=1S/C20H16ClFN4OS/c21-15-11-23-25(12-15)9-10-26-19(27)17-3-1-2-4-18(17)24-20(26)28-13-14-5-7-16(22)8-6-14/h1-8,11-12H,9-10,13H2