(2Z,4E)-5-(4-bromophenyl)-3-methylsulfanyl-5-pyrrolidin-1-yl-penta-2,4-dienenitrile

Systemtic Name: (2Z,4E)-5-(4-bromophenyl)-3-methylsulfanyl-5-pyrrolidin-1-yl-penta-2,4-dienenitrile Openeye Name: (2Z,4E)-5-(4-bromophenyl)-3-methylsulfanyl-5-pyrrolidin-1-yl-penta-2,4-dienenitrile CAS Name: (2Z,4E)-5-(4-bromophenyl)-3-(methylthio)-5-(1-pyrrolidinyl)penta-2,4-dienenitrile IUPAC Name: (2Z,4E)-5-(4-bromophenyl)-3-methylsulfanyl-5-pyrrolidin-1-ylpenta-2,4-dienenitrile Traditional Name: (2Z,4E)-5-(4-bromophenyl)-3-(methylthio)-5-pyrrolidino-penta-2,4-dienenitrile Formula: C16H17BrN2S MolecularWeight: 349.28858

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC#N)C=C(C1=CC=C(C=C1)Br)N2CCCC2

Isomeric SMILES

CS/C(=C\C#N)/C=C(\C1=CC=C(C=C1)Br)/N2CCCC2

InChI

InChI=1S/C16H17BrN2S/c1-20-15(8-9-18)12-16(19-10-2-3-11-19)13-4-6-14(17)7-5-13/h4-8,12H,2-3,10-11H2,1H3/b15-8-,16-12+