2-[3,5-bis(chloranyl)-4-methylsulfanyl-phenyl]-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carboxylic acid

Systemtic Name: 2-[3,5-bis(chloranyl)-4-methylsulfanyl-phenyl]-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carboxylic acid Openeye Name: 2-(3,5-dichloro-4-methylsulfanyl-phenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid CAS Name: 2-[3,5-dichloro-4-(methylthio)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid IUPAC Name: 2-(3,5-dichloro-4-methylsulfanylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid Traditional Name: 2-[3,5-dichloro-4-(methylthio)phenyl]-3,5-diketo-1,2,4-triazine-6-carboxylic acid Formula: C11H7Cl2N3O4S MolecularWeight: 348.16198

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1Cl)N2C(=O)NC(=O)C(=N2)C(=O)O)Cl

Isomeric SMILES

CSC1=C(C=C(C=C1Cl)N2C(=O)NC(=O)C(=N2)C(=O)O)Cl

InChI

InChI=1S/C11H7Cl2N3O4S/c1-21-8-5(12)2-4(3-6(8)13)16-11(20)14-9(17)7(15-16)10(18)19/h2-3H,1H3,(H,18,19)(H,14,17,20)