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

Systemtic Name: 3,3-dimethyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[(1-phenyl-5-tetrazolyl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)thio]butan-2-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C13H16N4OS/c1-13(2,3)11(18)9-19-12-14-15-16-17(12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3