3-[(E)-3-(4-bromanylthiophen-2-yl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-3-(4-bromanylthiophen-2-yl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-(4-bromo-2-thienyl)prop-2-enoyl]benzonitrile CAS Name: 3-[(E)-3-(4-bromo-2-thiophenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 3-[(E)-3-(4-bromothiophen-2-yl)prop-2-enoyl]benzonitrile Traditional Name: 3-[(E)-3-(4-bromo-2-thienyl)acryloyl]benzonitrile Formula: C14H8BrNOS MolecularWeight: 318.18842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)C=CC2=CC(=CS2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)/C=C/C2=CC(=CS2)Br)C#N

InChI

InChI=1S/C14H8BrNOS/c15-12-7-13(18-9-12)4-5-14(17)11-3-1-2-10(6-11)8-16/h1-7,9H/b5-4+