6-bromanyl-2-methyl-3-(6-methylidene-5-oxidanylidene-3-sulfanylidene-1,2,4-triazin-4-yl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-bromanyl-2-methyl-3-(6-methylidene-5-oxidanylidene-3-sulfanylidene-1,2,4-triazin-4-yl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-bromo-2-methyl-3-(6-methylene-5-oxo-3-thioxo-1,2,4-triazin-4-yl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-bromo-2-methyl-3-(6-methylene-5-oxo-3-sulfanylidene-1,2,4-triazin-4-yl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-bromo-2-methyl-3-(6-methylidene-5-oxo-3-sulfanylidene-1,2,4-triazin-4-yl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-bromo-3-(5-keto-6-methylene-3-thioxo-1,2,4-triazin-4-yl)-2-methyl-4aH-quinazolin-3-ium-4-one Formula: C13H9BrN5O2S+ MolecularWeight: 379.21186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C=C(C=CC2=N1)Br)N3C(=O)C(=C)N=NC3=S

Isomeric SMILES

CC1=[N+](C(=O)C2C=C(C=CC2=N1)Br)N3C(=O)C(=C)N=NC3=S

InChI

InChI=1S/C13H9BrN5O2S/c1-6-11(20)19(13(22)17-16-6)18-7(2)15-10-4-3-8(14)5-9(10)12(18)21/h3-5,9H,1H2,2H3/q+1