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

Systemtic Name: 2-[[5-propan-2-yl-4-(1-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-isopropyl-4-[1-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-propan-2-yl-4-(1-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-propan-2-yl-4-(1-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-isopropyl-4-[1-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C(C)C2=CC=CS2)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C(C)C2=CC=CS2)SCC(=O)O

InChI

InChI=1S/C13H17N3O2S2/c1-8(2)12-14-15-13(20-7-11(17)18)16(12)9(3)10-5-4-6-19-10/h4-6,8-9H,7H2,1-3H3,(H,17,18)