4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonic acid

Systemtic Name: 4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonic acid Openeye Name: 4-(5,6-dimethyl-3-thioxo-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonic acid CAS Name: 4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonic acid IUPAC Name: 4-(5,6-dimethyl-3-sulfanylidene-1,4-dihydro-1,2,4-triazin-2-yl)benzenesulfonic acid Traditional Name: 4-(5,6-dimethyl-3-thioxo-1,4-dihydro-1,2,4-triazin-2-yl)besylic acid Formula: C11H13N3O3S2 MolecularWeight: 299.36922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C(=S)N1)C2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(NN(C(=S)N1)C2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C11H13N3O3S2/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)