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

Systemtic Name: 2-[(E)-1-(2-bromophenyl)-3-[methyl-(phenylmethyl)amino]-3-methylsulfanyl-prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-[benzyl(methyl)amino]-1-(2-bromophenyl)-3-methylsulfanyl-prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-1-(2-bromophenyl)-3-[methyl-(phenylmethyl)amino]-3-(methylthio)prop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-[benzyl(methyl)amino]-1-(2-bromophenyl)-3-methylsulfanylprop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-[benzyl(methyl)amino]-1-(2-bromophenyl)-3-(methylthio)prop-2-enylidene]malononitrile Formula: C21H18BrN3S MolecularWeight: 424.35672

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=CC(=C(C#N)C#N)C2=CC=CC=C2Br)SC

Isomeric SMILES

CN(CC1=CC=CC=C1)/C(=C\C(=C(C#N)C#N)C2=CC=CC=C2Br)/SC

InChI

InChI=1S/C21H18BrN3S/c1-25(15-16-8-4-3-5-9-16)21(26-2)12-19(17(13-23)14-24)18-10-6-7-11-20(18)22/h3-12H,15H2,1-2H3/b21-12+