2-[[5-[[(4-chlorophenyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15ClN4O2S MolecularWeight: 326.8018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)CNC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN4O2S/c1-2-18-11(16-17-13(18)21-8-12(19)20)7-15-10-5-3-9(14)4-6-10/h3-6,15H,2,7-8H2,1H3,(H,19,20)