(E)-4-methyl-2-(1-methylpyrrol-2-yl)-3-methylsulfanyl-5-oxidanylidene-hex-3-enenitrile

Systemtic Name: (E)-4-methyl-2-(1-methylpyrrol-2-yl)-3-methylsulfanyl-5-oxidanylidene-hex-3-enenitrile Openeye Name: (E)-4-methyl-2-(1-methylpyrrol-2-yl)-3-methylsulfanyl-5-oxo-hex-3-enenitrile CAS Name: (E)-4-methyl-2-(1-methyl-2-pyrrolyl)-3-(methylthio)-5-oxo-3-hexenenitrile IUPAC Name: (E)-4-methyl-2-(1-methylpyrrol-2-yl)-3-methylsulfanyl-5-oxohex-3-enenitrile Traditional Name: (E)-5-keto-4-methyl-2-(1-methylpyrrol-2-yl)-3-(methylthio)hex-3-enenitrile Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C#N)C1=CC=CN1C)SC)C(=O)C

Isomeric SMILES

C/C(=C(/C(C#N)C1=CC=CN1C)\SC)/C(=O)C

InChI

InChI=1S/C13H16N2OS/c1-9(10(2)16)13(17-4)11(8-14)12-6-5-7-15(12)3/h5-7,11H,1-4H3/b13-9+