(E)-3-(5-bromanylthiophen-2-yl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanylthiophen-2-yl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-2-thienyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-bromothiophen-2-yl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-2-thienyl)-2-o-toluoyl-acrylonitrile Formula: C15H10BrNOS MolecularWeight: 332.215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC=C(S2)Br)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC=C(S2)Br)/C#N

InChI

InChI=1S/C15H10BrNOS/c1-10-4-2-3-5-13(10)15(18)11(9-17)8-12-6-7-14(16)19-12/h2-8H,1H3/b11-8+