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

Systemtic Name: 5-[(6-tert-butyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: 5-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-[[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-2-thiophenecarboxylate IUPAC Name: 5-[(6-tert-butyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-[[(6-tert-butyl-5-keto-2H-1,2,4-triazin-3-yl)thio]methyl]-2-thenoate Formula: C13H14N3O3S2- MolecularWeight: 324.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)SCC2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)SCC2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O3S2/c1-13(2,3)9-10(17)14-12(16-15-9)20-6-7-4-5-8(21-7)11(18)19/h4-5H,6H2,1-3H3,(H,18,19)(H,14,16,17)/p-1