3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[1-(2-fluorobenzyl)pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one Formula: C18H13FN4OS MolecularWeight: 352.385423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)N3C(=O)C4=CC=CC=C4NC3=S)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)N3C(=O)C4=CC=CC=C4NC3=S)F

InChI

InChI=1S/C18H13FN4OS/c19-15-7-3-1-5-12(15)10-22-11-13(9-20-22)23-17(24)14-6-2-4-8-16(14)21-18(23)25/h1-9,11H,10H2,(H,21,25)