methyl 4-[[1-(2-methylcyclohexyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[1-(2-methylcyclohexyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate Openeye Name: methyl 4-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylbutanoate CAS Name: 4-[[1-(2-methylcyclohexyl)-5-tetrazolyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(2-methylcyclohexyl)tetrazol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-(2-methylcyclohexyl)tetrazol-5-yl]thio]butyric acid methyl ester Formula: C13H22N4O2S MolecularWeight: 298.40438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=N2)SCCCC(=O)OC

Isomeric SMILES

CC1CCCCC1N2C(=NN=N2)SCCCC(=O)OC

InChI

InChI=1S/C13H22N4O2S/c1-10-6-3-4-7-11(10)17-13(14-15-16-17)20-9-5-8-12(18)19-2/h10-11H,3-9H2,1-2H3