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

Systemtic Name: 3,3-dimethyl-1-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[(1-methyl-5-tetrazolyl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-(1-methyltetrazol-5-yl)sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[(1-methyltetrazol-5-yl)thio]butan-2-one Formula: C8H14N4OS MolecularWeight: 214.28796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=NN1C

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=NN1C

InChI

InChI=1S/C8H14N4OS/c1-8(2,3)6(13)5-14-7-9-10-11-12(7)4/h5H2,1-4H3