methyl 2-[[5-(cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(cyclohexylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)CC2CCCCC2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)CC2CCCCC2

InChI

InChI=1S/C13H21N3O2S/c1-16-11(8-10-6-4-3-5-7-10)14-15-13(16)19-9-12(17)18-2/h10H,3-9H2,1-2H3