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

Systemtic Name: 1-(5-methyl-3-phenyl-6-sulfanylidene-7,7a-dihydroimidazo[4,5-e][1,2,4]triazin-1-yl)ethanone Openeye Name: 1-(5-methyl-3-phenyl-6-thioxo-7,7a-dihydroimidazo[4,5-e][1,2,4]triazin-1-yl)ethanone CAS Name: 1-(5-methyl-3-phenyl-6-sulfanylidene-7,7a-dihydroimidazo[4,5-e][1,2,4]triazin-1-yl)ethanone IUPAC Name: 1-(5-methyl-3-phenyl-6-sulfanylidene-7,7a-dihydroimidazo[4,5-e][1,2,4]triazin-1-yl)ethanone Traditional Name: 1-(5-methyl-3-phenyl-6-thioxo-7,7a-dihydroimidazo[4,5-e][1,2,4]triazin-1-yl)ethanone Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5OS/c1-8(19)18-12-11(17(2)13(20)15-12)14-10(16-18)9-6-4-3-5-7-9/h3-7,12H,1-2H3,(H,15,20)