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

Systemtic Name: 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[1-(3-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=C2C(=C1)C(=O)N(C(=S)N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CN(N=C3)CC4=CC(=CC=C4)F

InChI

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