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

Systemtic Name: 2-[[4-(1-cyclopropylethyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-cyclopropylethyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-cyclopropylethyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-cyclopropylethyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-cyclopropylethyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C2CC2)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C(C)C2CC2)SCC(=O)O

InChI

InChI=1S/C11H17N3O2S/c1-3-9-12-13-11(17-6-10(15)16)14(9)7(2)8-4-5-8/h7-8H,3-6H2,1-2H3,(H,15,16)