3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]propionate Formula: C12H18N3O2S- MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])C2CCCCC2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])C2CCCCC2

InChI

InChI=1S/C12H19N3O2S/c1-15-11(9-5-3-2-4-6-9)13-14-12(15)18-8-7-10(16)17/h9H,2-8H2,1H3,(H,16,17)/p-1