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

Systemtic Name: ethyl 4-[2-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4S/c1-2-21-12(20)7-3-5-8(6-4-7)16-17-9-10(18)14-13(22)15-11(9)19/h3-6,16H,2H2,1H3,(H2,14,15,18,19,22)