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

Systemtic Name: 5-methyl-1-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-methyl-1-[5-(m-tolylmethyl)thiazol-2-yl]triazole-4-carboxylic acid CAS Name: 5-methyl-1-[5-[(3-methylphenyl)methyl]-2-thiazolyl]-4-triazolecarboxylic acid IUPAC Name: 5-methyl-1-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]triazole-4-carboxylic acid Traditional Name: 5-methyl-1-[5-(3-methylbenzyl)thiazol-2-yl]triazole-4-carboxylic acid Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CN=C(S2)N3C(=C(N=N3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CN=C(S2)N3C(=C(N=N3)C(=O)O)C

InChI

InChI=1S/C15H14N4O2S/c1-9-4-3-5-11(6-9)7-12-8-16-15(22-12)19-10(2)13(14(20)21)17-18-19/h3-6,8H,7H2,1-2H3,(H,20,21)