methyl 4-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzoate

Systemtic Name: methyl 4-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzoate Openeye Name: methyl 4-[2-(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzoate CAS Name: 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzoate Traditional Name: 4-[N'-(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzoic acid methyl ester Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NN=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NN=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C12H10N4O4S/c1-20-11(19)6-2-4-7(5-3-6)15-16-8-9(17)13-12(21)14-10(8)18/h2-5,15H,1H3,(H2,13,14,17,18,21)