1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-(4-ethoxyphenyl)-5-tetrazolyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 3,3-dimethyl-1-[(1-p-phenetyltetrazol-5-yl)thio]butan-2-one Formula: C15H20N4O2S MolecularWeight: 320.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C(C)(C)C

InChI

InChI=1S/C15H20N4O2S/c1-5-21-12-8-6-11(7-9-12)19-14(16-17-18-19)22-10-13(20)15(2,3)4/h6-9H,5,10H2,1-4H3