(E)-3-(4-bromanylthiophen-2-yl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(4-bromo-2-thienyl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-2-thiophenyl)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(4-bromo-2-thienyl)acrylonitrile Formula: C17H15BrN2OS MolecularWeight: 375.2828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC(=CS2)Br)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC(=CS2)Br)/C#N

InChI

InChI=1S/C17H15BrN2OS/c1-4-5-20-11(2)6-16(12(20)3)17(21)13(9-19)7-15-8-14(18)10-22-15/h4,6-8,10H,1,5H2,2-3H3/b13-7+