1-(4-tert-butylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)COC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-21(2,3)16-11-9-15(10-12-16)18(24)14-27-20-23-22-19(26-20)13-25-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3