2-[(3-methylphenyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(3-methylphenyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-methylanilino)-4-(4-pyridyl)thiazole-5-carboxylic acid CAS Name: 2-(3-methylanilino)-4-pyridin-4-yl-5-thiazolecarboxylic acid IUPAC Name: 2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(m-toluidino)-4-(4-pyridyl)thiazole-5-carboxylic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=C(S2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=C(S2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O2S/c1-10-3-2-4-12(9-10)18-16-19-13(14(22-16)15(20)21)11-5-7-17-8-6-11/h2-9H,1H3,(H,18,19)(H,20,21)