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

Systemtic Name: 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H11N3O2S2 MolecularWeight: 281.35394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C11H11N3O2S2/c1-2-5-14-10(8-4-3-6-17-8)12-13-11(14)18-7-9(15)16/h2-4,6H,1,5,7H2,(H,15,16)