cyclohexyl 2-[[1-(3-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[[1-(3-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(3-acetylphenyl)-5-tetrazolyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(3-acetylphenyl)tetrazol-5-yl]thio]acetic acid cyclohexyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)OC3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=NN=N2)SCC(=O)OC3CCCCC3

InChI

InChI=1S/C17H20N4O3S/c1-12(22)13-6-5-7-14(10-13)21-17(18-19-20-21)25-11-16(23)24-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11H2,1H3