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

Systemtic Name: 2-[[5-[[(3-chloranyl-4-methyl-phenyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(3-chloro-4-methyl-anilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(3-chloro-4-methylanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(3-chloro-4-methylanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(3-chloro-4-methyl-anilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17ClN4O2S MolecularWeight: 340.82838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O2S/c1-3-19-12(17-18-14(19)22-8-13(20)21)7-16-10-5-4-9(2)11(15)6-10/h4-6,16H,3,7-8H2,1-2H3,(H,20,21)