(E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-5-phenylsulfanyl-furan-2-yl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(4-bromo-5-phenylsulfanyl-2-furyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[4-bromo-5-(phenylthio)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(4-bromo-5-phenylsulfanylfuran-2-yl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[4-bromo-5-(phenylthio)-2-furyl]acrylonitrile Formula: C20H12BrNO2S MolecularWeight: 410.28378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(O2)SC3=CC=CC=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(O2)SC3=CC=CC=C3)Br)/C#N

InChI

InChI=1S/C20H12BrNO2S/c21-18-12-16(24-20(18)25-17-9-5-2-6-10-17)11-15(13-22)19(23)14-7-3-1-4-8-14/h1-12H/b15-11+