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

Systemtic Name: 2-[[5-propan-2-yl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-isopropyl-4-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-propan-2-yl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-propan-2-yl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-isopropyl-4-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H15N3O2S2 MolecularWeight: 297.3964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2=CC=CS2)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1CC2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C12H15N3O2S2/c1-8(2)11-13-14-12(19-7-10(16)17)15(11)6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,16,17)