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

Systemtic Name: 2-[bis(methylsulfanyl)methylidene]-1-isocyanato-3-methyl-butan-1-one Openeye Name: 2-[bis(methylsulfanyl)methylene]-3-methyl-butanoyl isocyanate CAS Name: 2-[bis(methylthio)methylidene]-1-isocyanato-3-methyl-1-butanone IUPAC Name: 2-[bis(methylsulfanyl)methylidene]-3-methylbutanoyl isocyanate Traditional Name: 1-isocyanato-2-isopropyl-3,3-bis(methylthio)prop-2-en-1-one Formula: C9H13NO2S2 MolecularWeight: 231.33502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO2S2/c1-6(2)7(8(12)10-5-11)9(13-3)14-4/h6H,1-4H3