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

Systemtic Name: 2-[[5-ethyl-4-(3-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(3-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(3-methylcyclohexyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(3-methylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(3-methylcyclohexyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2CCCC(C2)C)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2CCCC(C2)C)SCC(=O)O

InChI

InChI=1S/C13H21N3O2S/c1-3-11-14-15-13(19-8-12(17)18)16(11)10-6-4-5-9(2)7-10/h9-10H,3-8H2,1-2H3,(H,17,18)