4-(3,3-dimethyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)benzoic acid

Systemtic Name: 4-(3,3-dimethyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)benzoic acid Openeye Name: 4-(3,3-dimethyl-5-thioxo-1,2,4-triazolidin-1-yl)benzoic acid CAS Name: 4-(3,3-dimethyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)benzoic acid IUPAC Name: 4-(3,3-dimethyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)benzoic acid Traditional Name: 4-(3,3-dimethyl-5-thioxo-1,2,4-triazolidin-1-yl)benzoic acid Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(=S)N(N1)C2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(NC(=S)N(N1)C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C11H13N3O2S/c1-11(2)12-10(17)14(13-11)8-5-3-7(4-6-8)9(15)16/h3-6,13H,1-2H3,(H,12,17)(H,15,16)