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

Systemtic Name: (2Z,4E)-5-(4-methoxyphenyl)-3-methylsulfanyl-5-pyrrolidin-1-yl-penta-2,4-dienenitrile Openeye Name: (2Z,4E)-5-(4-methoxyphenyl)-3-methylsulfanyl-5-pyrrolidin-1-yl-penta-2,4-dienenitrile CAS Name: (2Z,4E)-5-(4-methoxyphenyl)-3-(methylthio)-5-(1-pyrrolidinyl)penta-2,4-dienenitrile IUPAC Name: (2Z,4E)-5-(4-methoxyphenyl)-3-methylsulfanyl-5-pyrrolidin-1-ylpenta-2,4-dienenitrile Traditional Name: (2Z,4E)-5-(4-methoxyphenyl)-3-(methylthio)-5-pyrrolidino-penta-2,4-dienenitrile Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=CC(=CC#N)SC)N2CCCC2

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C\C(=C\C#N)\SC)/N2CCCC2

InChI

InChI=1S/C17H20N2OS/c1-20-15-7-5-14(6-8-15)17(19-11-3-4-12-19)13-16(21-2)9-10-18/h5-9,13H,3-4,11-12H2,1-2H3/b16-9-,17-13+