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

Systemtic Name: 2-[(E)-3-[methyl-(phenylmethyl)amino]-3-methylsulfanyl-1-phenyl-prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-[benzyl(methyl)amino]-3-methylsulfanyl-1-phenyl-prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-3-[methyl-(phenylmethyl)amino]-3-(methylthio)-1-phenylprop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-[benzyl(methyl)amino]-3-methylsulfanyl-1-phenylprop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-[benzyl(methyl)amino]-3-(methylthio)-1-phenyl-prop-2-enylidene]malononitrile Formula: C21H19N3S MolecularWeight: 345.46066

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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=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3S/c1-24(16-17-9-5-3-6-10-17)21(25-2)13-20(19(14-22)15-23)18-11-7-4-8-12-18/h3-13H,16H2,1-2H3/b21-13+