5-[(6-methyl-3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: 5-[(6-methyl-3-oxidanylidene-2H-1,2,4-triazin-5-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(3-keto-6-methyl-2H-1,2,4-triazin-5-yl)thio]methyl]-2-thenoate Formula: C10H8N3O3S2- MolecularWeight: 282.31882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1SCC2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CC1=NNC(=O)N=C1SCC2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C10H9N3O3S2/c1-5-8(11-10(16)13-12-5)17-4-6-2-3-7(18-6)9(14)15/h2-3H,4H2,1H3,(H,14,15)(H,11,13,16)/p-1