2-(4-bromophenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enal

Systemtic Name: 2-(4-bromophenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enal Openeye Name: 2-(4-bromobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enal CAS Name: 2-[(4-bromophenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenal IUPAC Name: 2-(4-bromobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enal Traditional Name: 2-(4-bromobenzoyl)-3,3-bis(methylthio)acrolein Formula: C12H11BrO2S2 MolecularWeight: 331.24854

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C=O)C(=O)C1=CC=C(C=C1)Br)SC

Isomeric SMILES

CSC(=C(C=O)C(=O)C1=CC=C(C=C1)Br)SC

InChI

InChI=1S/C12H11BrO2S2/c1-16-12(17-2)10(7-14)11(15)8-3-5-9(13)6-4-8/h3-7H,1-2H3