2-[[4-(1,5-dimethyl-3-sulfanidyl-1,2,4-triazol-4-ium-4-yl)phenyl]-methyl-amino]ethanoate

Systemtic Name: 2-[[4-(1,5-dimethyl-3-sulfanidyl-1,2,4-triazol-4-ium-4-yl)phenyl]-methyl-amino]ethanoate Openeye Name: 2-[4-(1,5-dimethyl-3-sulfido-1,2,4-triazol-4-ium-4-yl)-N-methyl-anilino]acetate CAS Name: 2-[4-(1,5-dimethyl-3-sulfido-1,2,4-triazol-4-ium-4-yl)-N-methylanilino]acetate IUPAC Name: 2-[4-(1,5-dimethyl-3-sulfido-1,2,4-triazol-4-ium-4-yl)-N-methylanilino]acetate Traditional Name: 2-[4-(1,5-dimethyl-3-sulfido-1,2,4-triazol-4-ium-4-yl)-N-methyl-anilino]acetate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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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)/p-1