2-[(E)-3-(azetidin-1-yl)-3-methylsulfanyl-1-phenyl-prop-2-enylidene]propanedinitrile

Systemtic Name: 2-[(E)-3-(azetidin-1-yl)-3-methylsulfanyl-1-phenyl-prop-2-enylidene]propanedinitrile Openeye Name: 2-[(E)-3-(azetidin-1-yl)-3-methylsulfanyl-1-phenyl-prop-2-enylidene]propanedinitrile CAS Name: 2-[(E)-3-(1-azetidinyl)-3-(methylthio)-1-phenylprop-2-enylidene]propanedinitrile IUPAC Name: 2-[(E)-3-(azetidin-1-yl)-3-methylsulfanyl-1-phenylprop-2-enylidene]propanedinitrile Traditional Name: 2-[(E)-3-(azetidin-1-yl)-3-(methylthio)-1-phenyl-prop-2-enylidene]malononitrile Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC(=C(C#N)C#N)C1=CC=CC=C1)N2CCC2

Isomeric SMILES

CS/C(=C/C(=C(C#N)C#N)C1=CC=CC=C1)/N2CCC2

InChI

InChI=1S/C16H15N3S/c1-20-16(19-8-5-9-19)10-15(14(11-17)12-18)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9H2,1H3/b16-10+