4-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C(C)C

InChI

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