5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-1-ium-1-carboxylic acid

Systemtic Name: 5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-1-ium-1-carboxylic acid Openeye Name: 5-ethyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazol-1-ium-1-carboxylic acid CAS Name: 5-ethyl-1-[4-(4-methylphenyl)-2-thiazolyl]-1-pyrazol-1-iumcarboxylic acid IUPAC Name: 5-ethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-1-ium-1-carboxylic acid Traditional Name: 5-ethyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazol-1-ium-1-carboxylic acid Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=N[N+]1(C2=NC(=CS2)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCC1=CC=N[N+]1(C2=NC(=CS2)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C16H15N3O2S/c1-3-13-8-9-17-19(13,16(20)21)15-18-14(10-22-15)12-6-4-11(2)5-7-12/h4-10H,3H2,1-2H3/p+1