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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

Isomeric SMILES

CC(C1CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3

InChI

InChI=1S/C13H15N3O2S2/c1-8(9-4-5-9)16-12(10-3-2-6-19-10)14-15-13(16)20-7-11(17)18/h2-3,6,8-9H,4-5,7H2,1H3,(H,17,18)