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

Systemtic Name: 3,3-dimethyl-1-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-methyl-5-(5-methylisoxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-methyl-5-(5-methyl-3-isoxazolyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-methyl-5-(5-methylisoxazol-3-yl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=NN=C(N2C)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=NO1)C2=NN=C(N2C)SCC(=O)C(C)(C)C

InChI

InChI=1S/C13H18N4O2S/c1-8-6-9(16-19-8)11-14-15-12(17(11)5)20-7-10(18)13(2,3)4/h6H,7H2,1-5H3