2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1,3-benzothiazole-6-carboxylic acid Formula: C12H10N4O2S2 MolecularWeight: 306.3634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NN=C(N1C)SC2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C12H10N4O2S2/c1-6-14-15-11(16(6)2)20-12-13-8-4-3-7(10(17)18)5-9(8)19-12/h3-5H,1-2H3,(H,17,18)