sodium 4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonate

Systemtic Name: sodium 4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonate Openeye Name: sodium 4-(5,6-dimethyl-3-thioxo-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonate CAS Name: sodium 4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonate IUPAC Name: sodium 4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonate Traditional Name: sodium 4-(5,6-dimethyl-3-thioxo-1,4-dihydro-1,2,4-triazin-2-yl)besylate Formula: C11H12N3NaO3S2 MolecularWeight: 321.35105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C(=S)N1)C2=CC=C(C=C2)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(NN(C(=S)N1)C2=CC=C(C=C2)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C11H13N3O3S2.Na/c1-7-8(2)13-14(11(18)12-7)9-3-5-10(6-4-9)19(15,16)17;/h3-6,13H,1-2H3,(H,12,18)(H,15,16,17);/q;+1/p-1