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

Systemtic Name: 3-(4-fluorophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-one Formula: C20H18FN5OS MolecularWeight: 395.453223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN5OS/c1-13(2)25-12-22-24-20(25)28-11-18-23-17-6-4-3-5-16(17)19(27)26(18)15-9-7-14(21)8-10-15/h3-10,12-13H,11H2,1-2H3