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

Systemtic Name: 3,3-dimethyl-1-[[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[1-(2-methylphenyl)-5-tetrazolyl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[[1-(o-tolyl)tetrazol-5-yl]thio]butan-2-one Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)C(C)(C)C

InChI

InChI=1S/C14H18N4OS/c1-10-7-5-6-8-11(10)18-13(15-16-17-18)20-9-12(19)14(2,3)4/h5-8H,9H2,1-4H3