2-(3-bromophenyl)-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one

Systemtic Name: 2-(3-bromophenyl)-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one Openeye Name: 2-(3-bromophenyl)-4-thioxo-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one CAS Name: 2-(3-bromophenyl)-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one IUPAC Name: 2-(3-bromophenyl)-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one Traditional Name: 2-(3-bromophenyl)-4-thioxo-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one Formula: C11H7BrN4OS MolecularWeight: 323.16848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=S)N3C(=CC(=O)N3)N2

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=S)N3C(=CC(=O)N3)N2

InChI

InChI=1S/C11H7BrN4OS/c12-7-3-1-2-6(4-7)10-13-8-5-9(17)15-16(8)11(18)14-10/h1-5H,(H,15,17)(H,13,14,18)