2-methyl-3-sulfanyl-1,4-dihydro-1,2,4-triazin-2-ium-5,6-dione

Systemtic Name: 2-methyl-3-sulfanyl-1,4-dihydro-1,2,4-triazin-2-ium-5,6-dione Openeye Name: 2-methyl-3-sulfanyl-1,4-dihydro-1,2,4-triazin-2-ium-5,6-dione CAS Name: 3-mercapto-2-methyl-1,4-dihydro-1,2,4-triazin-2-ium-5,6-dione IUPAC Name: 2-methyl-3-sulfanyl-1,4-dihydro-1,2,4-triazin-2-ium-5,6-dione Traditional Name: 3-mercapto-2-methyl-1,4-dihydro-1,2,4-triazin-2-ium-5,6-quinone Formula: C4H6N3O2S+ MolecularWeight: 160.17434

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C(=O)N1)S

Isomeric SMILES

C[N+]1=C(NC(=O)C(=O)N1)S

InChI

InChI=1S/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H2,5,6,8,9,10)/p+1