(E)-2-(2-bromanyl-3,4,5-trimethoxy-phenyl)-3-methylsulfanyl-3-phenyl-prop-2-enenitrile

Systemtic Name: (E)-2-(2-bromanyl-3,4,5-trimethoxy-phenyl)-3-methylsulfanyl-3-phenyl-prop-2-enenitrile Openeye Name: (E)-2-(2-bromo-3,4,5-trimethoxy-phenyl)-3-methylsulfanyl-3-phenyl-prop-2-enenitrile CAS Name: (E)-2-(2-bromo-3,4,5-trimethoxyphenyl)-3-(methylthio)-3-phenyl-2-propenenitrile IUPAC Name: (E)-2-(2-bromo-3,4,5-trimethoxyphenyl)-3-methylsulfanyl-3-phenylprop-2-enenitrile Traditional Name: (E)-2-(2-bromo-3,4,5-trimethoxy-phenyl)-3-(methylthio)-3-phenyl-acrylonitrile Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=C(C2=CC=CC=C2)SC)C#N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)/C(=C(/C2=CC=CC=C2)\SC)/C#N)Br)OC)OC

InChI

InChI=1S/C19H18BrNO3S/c1-22-15-10-13(16(20)18(24-3)17(15)23-2)14(11-21)19(25-4)12-8-6-5-7-9-12/h5-10H,1-4H3/b19-14-