4-methyl-2-(2-phenyl-1,2,3-triazol-4-yl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-(2-phenyl-1,2,3-triazol-4-yl)-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-(2-phenyltriazol-4-yl)thiazole-5-carboxylic acid CAS Name: 4-methyl-2-(2-phenyl-4-triazolyl)-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-(2-phenyltriazol-4-yl)-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-(2-phenyltriazol-4-yl)thiazole-5-carboxylic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=NN(N=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=NN(N=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C13H10N4O2S/c1-8-11(13(18)19)20-12(15-8)10-7-14-17(16-10)9-5-3-2-4-6-9/h2-7H,1H3,(H,18,19)