6,8-bis(bromanyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C12H9Br2N5OS MolecularWeight: 431.10576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

CN1C=NN=C1SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C12H9Br2N5OS/c1-19-5-15-18-12(19)21-4-9-16-10-7(11(20)17-9)2-6(13)3-8(10)14/h2-3,5H,4H2,1H3,(H,16,17,20)