2-[[4-methyl-5-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-methyl-5-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-[4-(p-tolylsulfonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-methyl-5-[4-(tosylamino)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H18N4O4S2 MolecularWeight: 418.48992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC(=O)O

InChI

InChI=1S/C18H18N4O4S2/c1-12-3-9-15(10-4-12)28(25,26)21-14-7-5-13(6-8-14)17-19-20-18(22(17)2)27-11-16(23)24/h3-10,21H,11H2,1-2H3,(H,23,24)