2-[[5-ethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-ethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(5-ethyl-4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=C(C=C2)C(C)C)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2=CC=C(C=C2)C(C)C)SCC(=O)O

InChI

InChI=1S/C15H19N3O2S/c1-4-13-16-17-15(21-9-14(19)20)18(13)12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,20)