4-[4-[carboxymethyl(methyl)amino]phenyl]-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate

Systemtic Name: 4-[4-[carboxymethyl(methyl)amino]phenyl]-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate Openeye Name: 4-[4-[carboxymethyl(methyl)amino]phenyl]-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate CAS Name: 4-[4-[carboxymethyl(methyl)amino]phenyl]-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate IUPAC Name: 4-[4-[carboxymethyl(methyl)amino]phenyl]-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate Traditional Name: 4-[4-[carboxymethyl(methyl)amino]phenyl]-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C)[S-])C2=CC=C(C=C2)N(C)CC(=O)O

Isomeric SMILES

CC1=[N+](C(=NN1C)[S-])C2=CC=C(C=C2)N(C)CC(=O)O

InChI

InChI=1S/C13H16N4O2S/c1-9-16(3)14-13(20)17(9)11-6-4-10(5-7-11)15(2)8-12(18)19/h4-7H,8H2,1-3H3,(H-,14,18,19,20)