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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NN=C2C(=O)NC(=S)NC2=O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NN=C2C(=O)NC(=S)NC2=O)C(=O)O

InChI

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