4-methyl-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[4-(1,2,4-triazol-1-ylmethyl)anilino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[4-(1,2,4-triazol-1-ylmethyl)anilino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[4-(1,2,4-triazol-1-ylmethyl)anilino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[4-(1,2,4-triazol-1-ylmethyl)anilino]thiazole-5-carboxylic acid Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=CC=C(C=C2)CN3C=NC=N3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=CC=C(C=C2)CN3C=NC=N3)C(=O)O

InChI

InChI=1S/C14H13N5O2S/c1-9-12(13(20)21)22-14(17-9)18-11-4-2-10(3-5-11)6-19-8-15-7-16-19/h2-5,7-8H,6H2,1H3,(H,17,18)(H,20,21)