(E)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-allyloxyphenyl)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]prop-2-enamide CAS Name: (E)-N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3-(4-prop-2-enoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-allyloxyphenyl)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]acrylamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC(=O)NC2=CC=NN2CC3=CC(=CS3)Br

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

InChI

InChI=1S/C20H18BrN3O2S/c1-2-11-26-17-6-3-15(4-7-17)5-8-20(25)23-19-9-10-22-24(19)13-18-12-16(21)14-27-18/h2-10,12,14H,1,11,13H2,(H,23,25)/b8-5+