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

Systemtic Name: 3-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[1-(3-fluorobenzyl)-1,2,4-triazol-3-yl]-2-thioxo-1H-quinazolin-4-one Formula: C17H12FN5OS MolecularWeight: 353.373483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=NN(C=N3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=NN(C=N3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C17H12FN5OS/c18-12-5-3-4-11(8-12)9-22-10-19-16(21-22)23-15(24)13-6-1-2-7-14(13)20-17(23)25/h1-8,10H,9H2,(H,20,25)