1-isocyanato-2-methyl-3,3-bis(methylsulfanyl)prop-2-en-1-one

Systemtic Name: 1-isocyanato-2-methyl-3,3-bis(methylsulfanyl)prop-2-en-1-one Openeye Name: 2-methyl-3,3-bis(methylsulfanyl)prop-2-enoyl isocyanate CAS Name: 1-isocyanato-2-methyl-3,3-bis(methylthio)-2-propen-1-one IUPAC Name: 2-methyl-3,3-bis(methylsulfanyl)prop-2-enoyl isocyanate Traditional Name: 1-isocyanato-2-methyl-3,3-bis(methylthio)prop-2-en-1-one Formula: C7H9NO2S2 MolecularWeight: 203.28186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO2S2/c1-5(6(10)8-4-9)7(11-2)12-3/h1-3H3