methyl 3-[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]-4-phenyl-5-sulfanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: methyl 3-[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]-4-phenyl-5-sulfanylidene-1,2,4-triazole-1-carboxylate Openeye Name: methyl 3-(2,4-dioxo-1H-pyrimidin-6-yl)-4-phenyl-5-thioxo-1,2,4-triazole-1-carboxylate CAS Name: 3-(2,4-dioxo-1H-pyrimidin-6-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,4-dioxo-1H-pyrimidin-6-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazole-1-carboxylate Traditional Name: 3-(2,4-diketo-1H-pyrimidin-6-yl)-4-phenyl-5-thioxo-1,2,4-triazole-1-carboxylic acid methyl ester Formula: C14H11N5O4S MolecularWeight: 345.33324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=S)N(C(=N1)C2=CC(=O)NC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N1C(=S)N(C(=N1)C2=CC(=O)NC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C14H11N5O4S/c1-23-14(22)19-13(24)18(8-5-3-2-4-6-8)11(17-19)9-7-10(20)16-12(21)15-9/h2-7H,1H3,(H2,15,16,20,21)