(E)-2-(4-bromophenyl)sulfonyl-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3-(7-methoxy-2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-bromophenyl)sulfonyl-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-brosyl-3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H18BrN3O4S MolecularWeight: 560.41852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN(C=C3/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H18BrN3O4S/c1-34-24-9-5-6-18-15-25(35-27(18)24)26-19(17-31(30-26)21-7-3-2-4-8-21)14-23(16-29)36(32,33)22-12-10-20(28)11-13-22/h2-15,17H,1H3/b23-14+