2-[(E)-1-(2-methylphenyl)-3-[methyl-(phenylmethyl)amino]-3-methylsulfanyl-prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[(E)-1-(2-methylphenyl)-3-[methyl-(phenylmethyl)amino]-3-methylsulfanyl-prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-[benzyl(methyl)amino]-3-methylsulfanyl-1-(o-tolyl)prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-1-(2-methylphenyl)-3-[methyl-(phenylmethyl)amino]-3-(methylthio)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-[benzyl(methyl)amino]-1-(2-methylphenyl)-3-methylsulfanylprop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-[benzyl(methyl)amino]-3-(methylthio)-1-(o-tolyl)prop-2-enylidene]malononitrile Formula: C22H21N3S MolecularWeight: 359.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C(C#N)C#N)C=C(N(C)CC2=CC=CC=C2)SC

Isomeric SMILES

CC1=CC=CC=C1C(=C(C#N)C#N)/C=C(\N(C)CC2=CC=CC=C2)/SC

InChI

InChI=1S/C22H21N3S/c1-17-9-7-8-12-20(17)21(19(14-23)15-24)13-22(26-3)25(2)16-18-10-5-4-6-11-18/h4-13H,16H2,1-3H3/b22-13+