(E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzodioxol-5-yl)-2-cyano-3-[4-(methylthio)phenyl]acrylamide Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H14N2O3S/c1-24-15-5-2-12(3-6-15)8-13(10-19)18(21)20-14-4-7-16-17(9-14)23-11-22-16/h2-9H,11H2,1H3,(H,20,21)/b13-8+