5-methyl-1-[5-(phenylmethyl)-1,3-thiazol-2-yl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-[5-(phenylmethyl)-1,3-thiazol-2-yl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(5-benzylthiazol-2-yl)-5-methyl-triazole-4-carboxylic acid CAS Name: 5-methyl-1-[5-(phenylmethyl)-2-thiazolyl]-4-triazolecarboxylic acid IUPAC Name: 1-(5-benzyl-1,3-thiazol-2-yl)-5-methyltriazole-4-carboxylic acid Traditional Name: 1-(5-benzylthiazol-2-yl)-5-methyl-triazole-4-carboxylic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=NC=C(S2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=NC=C(S2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H12N4O2S/c1-9-12(13(19)20)16-17-18(9)14-15-8-11(21-14)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,19,20)