methyl 3-[[1-(4-oxidanylcyclohexyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoate

Systemtic Name: methyl 3-[[1-(4-oxidanylcyclohexyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoate Openeye Name: methyl 3-[[1-(4-hydroxycyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoate CAS Name: 3-[[1-(4-hydroxycyclohexyl)-5-tetrazolyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-hydroxycyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoate Traditional Name: 3-[[1-(4-hydroxycyclohexyl)tetrazol-5-yl]methylthio]propionic acid methyl ester Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=NN=NN1C2CCC(CC2)O

Isomeric SMILES

COC(=O)CCSCC1=NN=NN1C2CCC(CC2)O

InChI

InChI=1S/C12H20N4O3S/c1-19-12(18)6-7-20-8-11-13-14-15-16(11)9-2-4-10(17)5-3-9/h9-10,17H,2-8H2,1H3