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

Systemtic Name: 2-[[5-cyclopropyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC3=CC=CS3)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2CCC3=CC=CS3)SCC(=O)O

InChI

InChI=1S/C13H15N3O2S2/c17-11(18)8-20-13-15-14-12(9-3-4-9)16(13)6-5-10-2-1-7-19-10/h1-2,7,9H,3-6,8H2,(H,17,18)