3-[4,5-bis(bromanyl)-2-(2-cyanoethylsulfanyl)-3,6-diethyl-phenyl]sulfanylpropanenitrile

Systemtic Name: 3-[4,5-bis(bromanyl)-2-(2-cyanoethylsulfanyl)-3,6-diethyl-phenyl]sulfanylpropanenitrile Openeye Name: 3-[4,5-dibromo-2-(2-cyanoethylsulfanyl)-3,6-diethyl-phenyl]sulfanylpropanenitrile CAS Name: 3-[[4,5-dibromo-2-(2-cyanoethylthio)-3,6-diethylphenyl]thio]propanenitrile IUPAC Name: 3-[4,5-dibromo-2-(2-cyanoethylsulfanyl)-3,6-diethylphenyl]sulfanylpropanenitrile Traditional Name: 3-[[4,5-dibromo-2-(2-cyanoethylthio)-3,6-diethyl-phenyl]thio]propionitrile Formula: C16H18Br2N2S2 MolecularWeight: 462.26552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1Br)Br)CC)SCCC#N)SCCC#N

Isomeric SMILES

CCC1=C(C(=C(C(=C1Br)Br)CC)SCCC#N)SCCC#N

InChI

InChI=1S/C16H18Br2N2S2/c1-3-11-13(17)14(18)12(4-2)16(22-10-6-8-20)15(11)21-9-5-7-19/h3-6,9-10H2,1-2H3