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

Systemtic Name: 2-[[5-cyclopropyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CS3)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CS3)SCC(=O)O

InChI

InChI=1S/C12H13N3O2S2/c16-10(17)7-19-12-14-13-11(8-3-4-8)15(12)6-9-2-1-5-18-9/h1-2,5,8H,3-4,6-7H2,(H,16,17)