1-(3-phenyl-6-sulfanylidene-7,7a-dihydro-2H-imidazo[4,5-e][1,2,4]triazin-1-yl)ethanone

Systemtic Name: 1-(3-phenyl-6-sulfanylidene-7,7a-dihydro-2H-imidazo[4,5-e][1,2,4]triazin-1-yl)ethanone Openeye Name: 1-(3-phenyl-6-thioxo-7,7a-dihydro-2H-imidazo[4,5-e][1,2,4]triazin-1-yl)ethanone CAS Name: 1-(3-phenyl-6-sulfanylidene-7,7a-dihydro-2H-imidazo[4,5-e][1,2,4]triazin-1-yl)ethanone IUPAC Name: 1-(3-phenyl-6-sulfanylidene-7,7a-dihydro-2H-imidazo[4,5-e][1,2,4]triazin-1-yl)ethanone Traditional Name: 1-(3-phenyl-6-thioxo-7,7a-dihydro-2H-imidazo[4,5-e][1,2,4]triazin-1-yl)ethanone Formula: C12H11N5OS MolecularWeight: 273.31364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2C(=NC(=S)N2)N=C(N1)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C2C(=NC(=S)N2)N=C(N1)C3=CC=CC=C3

InChI

InChI=1S/C12H11N5OS/c1-7(18)17-11-10(14-12(19)15-11)13-9(16-17)8-5-3-2-4-6-8/h2-6,11H,1H3,(H2,13,14,15,16,19)