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

Systemtic Name: 2-[(E)-3-(dimethylamino)-1-(2-methylphenyl)-3-methylsulfanyl-prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-(dimethylamino)-3-methylsulfanyl-1-(o-tolyl)prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-3-(dimethylamino)-1-(2-methylphenyl)-3-(methylthio)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-(dimethylamino)-1-(2-methylphenyl)-3-methylsulfanylprop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-(dimethylamino)-3-(methylthio)-1-(o-tolyl)prop-2-enylidene]malononitrile Formula: C16H17N3S MolecularWeight: 283.39128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C(C#N)C#N)C=C(N(C)C)SC

Isomeric SMILES

CC1=CC=CC=C1C(=C(C#N)C#N)/C=C(\N(C)C)/SC

InChI

InChI=1S/C16H17N3S/c1-12-7-5-6-8-14(12)15(13(10-17)11-18)9-16(20-4)19(2)3/h5-9H,1-4H3/b16-9+