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

Systemtic Name: 2-[[4-(2-ethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-ethylphenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-ethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-ethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-ethylphenyl)-5-isopropyl-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=CC=CC=C1N2C(=NN=C2SCC(=O)O)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)O)C(C)C

InChI

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