1-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline

Systemtic Name: 1-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline Openeye Name: 6-benzyloxy-1-[(E)-2-(4-bromo-2-thienyl)vinyl]-3,4-dihydroisoquinoline CAS Name: 1-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline IUPAC Name: 1-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-6-phenylmethoxy-3,4-dihydroisoquinoline Traditional Name: 6-benzoxy-1-[(E)-2-(4-bromo-2-thienyl)vinyl]-3,4-dihydroisoquinoline Formula: C22H18BrNOS MolecularWeight: 424.35342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)C=CC4=CC(=CS4)Br

Isomeric SMILES

C1CN=C(C2=C1C=C(C=C2)OCC3=CC=CC=C3)/C=C/C4=CC(=CS4)Br

InChI

InChI=1S/C22H18BrNOS/c23-18-13-20(26-15-18)7-9-22-21-8-6-19(12-17(21)10-11-24-22)25-14-16-4-2-1-3-5-16/h1-9,12-13,15H,10-11,14H2/b9-7+