4-(3,4-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl)benzoate

Systemtic Name: 4-(3,4-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl)benzoate Openeye Name: 4-(3,4-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-2-yl)benzoate CAS Name: 4-(3,4-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl)benzoate IUPAC Name: 4-(3,4-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl)benzoate Traditional Name: 4-(3,4-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-2-yl)benzoate Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=S)NN1C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=[N+](C(=S)NN1C2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C11H11N3O2S/c1-7-13(2)11(17)12-14(7)9-5-3-8(4-6-9)10(15)16/h3-6H,1-2H3,(H-,12,15,16,17)