2-(2-methoxy-4-methyl-3-sulfanyl-phenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6-one

Systemtic Name: 2-(2-methoxy-4-methyl-3-sulfanyl-phenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6-one Openeye Name: 2-(2-methoxy-4-methyl-3-sulfanyl-phenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6-one CAS Name: 2-(3-mercapto-2-methoxy-4-methylphenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6-one IUPAC Name: 2-(2-methoxy-4-methyl-3-sulfanylphenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6-one Traditional Name: 2-(3-mercapto-2-methoxy-4-methyl-phenyl)-1H-imidazo[4,5-e][1,2,4]triazin-6-one Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)N2C=NC3=NC(=O)N=C3N2)OC)S

Isomeric SMILES

CC1=C(C(=C(C=C1)N2C=NC3=NC(=O)N=C3N2)OC)S

InChI

InChI=1S/C12H11N5O2S/c1-6-3-4-7(8(19-2)9(6)20)17-5-13-10-11(16-17)15-12(18)14-10/h3-5,20H,1-2H3,(H,15,16,18)