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

Systemtic Name: 5-cyano-1-(2-methyl-1,3-benzothiazol-6-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-cyano-1-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxylic acid CAS Name: 5-cyano-1-(2-methyl-1,3-benzothiazol-6-yl)-4-triazolecarboxylic acid IUPAC Name: 5-cyano-1-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxylic acid Traditional Name: 5-cyano-1-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxylic acid Formula: C12H7N5O2S MolecularWeight: 285.28128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)N3C(=C(N=N3)C(=O)O)C#N

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)N3C(=C(N=N3)C(=O)O)C#N

InChI

InChI=1S/C12H7N5O2S/c1-6-14-8-3-2-7(4-10(8)20-6)17-9(5-13)11(12(18)19)15-16-17/h2-4H,1H3,(H,18,19)