5-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid CAS Name: 5-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid Traditional Name: 5-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)triazole-4-carboxylic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=NC3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=NC3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C11H12N4O2S/c1-6-9(10(16)17)13-14-15(6)11-12-7-4-2-3-5-8(7)18-11/h2-5H2,1H3,(H,16,17)