2-[(E)-3-(dimethylamino)-1-(2-methoxyphenyl)-3-methylsulfanyl-prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[(E)-3-(dimethylamino)-1-(2-methoxyphenyl)-3-methylsulfanyl-prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-(dimethylamino)-1-(2-methoxyphenyl)-3-methylsulfanyl-prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-3-(dimethylamino)-1-(2-methoxyphenyl)-3-(methylthio)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-(dimethylamino)-1-(2-methoxyphenyl)-3-methylsulfanylprop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-(dimethylamino)-1-(2-methoxyphenyl)-3-(methylthio)prop-2-enylidene]malononitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=CC(=C(C#N)C#N)C1=CC=CC=C1OC)SC

Isomeric SMILES

CN(C)/C(=C\C(=C(C#N)C#N)C1=CC=CC=C1OC)/SC

InChI

InChI=1S/C16H17N3OS/c1-19(2)16(21-4)9-14(12(10-17)11-18)13-7-5-6-8-15(13)20-3/h5-9H,1-4H3/b16-9+