4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylbutanenitrile

Systemtic Name: 4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylbutanenitrile Openeye Name: 4-[(E)-3-(4-bromophenyl)-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylbutanenitrile CAS Name: 4-[[(E)-3-(4-bromophenyl)-1-mercapto-3-oxoprop-1-enyl]thio]butanenitrile IUPAC Name: 4-[(E)-3-(4-bromophenyl)-3-oxo-1-sulfanylprop-1-enyl]sulfanylbutanenitrile Traditional Name: 4-[[(E)-3-(4-bromophenyl)-3-keto-1-mercapto-prop-1-enyl]thio]butyronitrile Formula: C13H12BrNOS2 MolecularWeight: 342.27448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C=C(S)SCCCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)/C=C(\S)/SCCCC#N)Br

InChI

InChI=1S/C13H12BrNOS2/c14-11-5-3-10(4-6-11)12(16)9-13(17)18-8-2-1-7-15/h3-6,9,17H,1-2,8H2/b13-9+