3-(4-fluorophenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-one Formula: C22H16FN5OS2 MolecularWeight: 449.523743

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C5=CC=CS5

InChI

InChI=1S/C22H16FN5OS2/c1-27-20(18-7-4-12-30-18)25-26-22(27)31-13-19-24-17-6-3-2-5-16(17)21(29)28(19)15-10-8-14(23)9-11-15/h2-12H,13H2,1H3