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

Systemtic Name: 6,8-bis(bromanyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-olate Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,8-dibromo-quinazolin-4-olate CAS Name: 6,8-dibromo-2-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-4-quinazolinolate IUPAC Name: 6,8-dibromo-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-olate Traditional Name: 2-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6,8-dibromo-quinazolin-4-olate Formula: C15H12Br2N5OS- MolecularWeight: 470.16168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC2=NC3=C(C=C(C=C3C(=N2)[O-])Br)Br

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC2=NC3=C(C=C(C=C3C(=N2)[O-])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)/p-1