5-azanyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-amino-1-[4-(p-tolylsulfonylamino)phenyl]triazole-4-carboxylic acid CAS Name: 5-amino-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-amino-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]triazole-4-carboxylic acid Traditional Name: 5-amino-1-[4-(tosylamino)phenyl]triazole-4-carboxylic acid Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C(=C(N=N3)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C(=C(N=N3)C(=O)O)N

InChI

InChI=1S/C16H15N5O4S/c1-10-2-8-13(9-3-10)26(24,25)19-11-4-6-12(7-5-11)21-15(17)14(16(22)23)18-20-21/h2-9,19H,17H2,1H3,(H,22,23)