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2-[bis(methylsulfanyl)methylidene]-1-isothiocyanato-3-methyl-butan-1-one

2-[bis(methylsulfanyl)methylidene]-1-isothiocyanato-3-methyl-butan-1-one

Systemtic Name:2-[bis(methylsulfanyl)methylidene]-1-isothiocyanato-3-methyl-butan-1-one
Openeye Name:2-[bis(methylsulfanyl)methylene]-3-methyl-butanoyl isothiocyanate
CAS Name:2-[bis(methylthio)methylidene]-1-isothiocyanato-3-methyl-1-butanone
IUPAC Name:2-[bis(methylsulfanyl)methylidene]-3-methylbutanoyl isothiocyanate
Traditional Name:2-isopropyl-1-isothiocyanato-3,3-bis(methylthio)prop-2-en-1-one
Formula: C9H13NOS3
MolecularWeight: 247.40062
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(SC)SC)C(=O)N=C=S


Isomeric SMILES

CC(C)C(=C(SC)SC)C(=O)N=C=S


InChI

InChI=1S/C9H13NOS3/c1-6(2)7(8(11)10-5-12)9(13-3)14-4/h6H,1-4H3


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