4-methyl-3-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid

Systemtic Name: 4-methyl-3-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid Openeye Name: 4-methyl-3-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]benzoic acid CAS Name: 4-methyl-3-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid IUPAC Name: 4-methyl-3-[(3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]benzoic acid Traditional Name: 4-methyl-3-[(3-thioxo-2H-1,2,4-triazin-5-yl)amino]benzoic acid Formula: C11H10N4O2S MolecularWeight: 262.2877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=S)NN=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=S)NN=C2

InChI

InChI=1S/C11H10N4O2S/c1-6-2-3-7(10(16)17)4-8(6)13-9-5-12-15-11(18)14-9/h2-5H,1H3,(H,16,17)(H2,13,14,15,18)