6,8-bis(bromanyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,8-dibromo-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6,8-dibromo-1H-quinazolin-4-one Formula: C15H13Br2N5OS MolecularWeight: 471.16962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C15H13Br2N5OS/c1-3-4-22-8(2)20-21-15(22)24-7-12-18-13-10(14(23)19-12)5-9(16)6-11(13)17/h3,5-6H,1,4,7H2,2H3,(H,18,19,23)