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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-(methylthio)phenyl]-N-piperonyl-acrylamide Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H16N2O3S/c1-25-16-5-2-13(3-6-16)8-15(10-20)19(22)21-11-14-4-7-17-18(9-14)24-12-23-17/h2-9H,11-12H2,1H3,(H,21,22)/b15-8+