3,3-dimethyl-1-(2H-1,2,3-triazol-4-ylsulfanyl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(2H-1,2,3-triazol-4-ylsulfanyl)butan-2-one Openeye Name: 3,3-dimethyl-1-(2H-triazol-4-ylsulfanyl)butan-2-one CAS Name: 3,3-dimethyl-1-(2H-triazol-4-ylthio)-2-butanone IUPAC Name: 3,3-dimethyl-1-(2H-triazol-4-ylsulfanyl)butan-2-one Traditional Name: 3,3-dimethyl-1-(2H-triazol-4-ylthio)butan-2-one Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNN=C1

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNN=C1

InChI

InChI=1S/C8H13N3OS/c1-8(2,3)6(12)5-13-7-4-9-11-10-7/h4H,5H2,1-3H3,(H,9,10,11)