3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[(1H-1,2,4-triazol-5-ylthio)methyl]quinazolin-4-one Formula: C17H12FN5OS MolecularWeight: 353.373483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NN3)C4=CC=C(C=C4)F

InChI

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