[(3S)-3-bromanyl-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-4-yl]methyl thiocyanate

Systemtic Name: [(3S)-3-bromanyl-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-4-yl]methyl thiocyanate Openeye Name: [(3S)-3-bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl]methyl thiocyanate CAS Name: thiocyanic acid [(3S)-3-bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl]methyl ester IUPAC Name: [(3S)-3-bromo-1,1-dioxo-2,3-dihydrothiophen-4-yl]methyl thiocyanate Traditional Name: thiocyanic acid [(3S)-3-bromo-1,1-diketo-2,3-dihydrothiophen-4-yl]methyl ester Formula: C6H6BrNO2S2 MolecularWeight: 268.15134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=CS1(=O)=O)CSC#N)Br

Isomeric SMILES

C1[C@H](C(=CS1(=O)=O)CSC#N)Br

InChI

InChI=1S/C6H6BrNO2S2/c7-6-3-12(9,10)2-5(6)1-11-4-8/h2,6H,1,3H2/t6-/m1/s1