N-[5-[(E)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1-cyano-ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-[5-[(E)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1-cyano-ethenyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[(E)-2-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-1-cyano-vinyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(E)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[(E)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(E)-2-(4-benzoxy-3-bromo-5-methoxy-phenyl)-1-cyano-vinyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C26H19BrN4O3S MolecularWeight: 547.42306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NN=C(S2)NC(=O)C3=CC=CC=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN=C(S2)NC(=O)C3=CC=CC=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H19BrN4O3S/c1-33-22-14-18(13-21(27)23(22)34-16-17-8-4-2-5-9-17)12-20(15-28)25-30-31-26(35-25)29-24(32)19-10-6-3-7-11-19/h2-14H,16H2,1H3,(H,29,31,32)/b20-12+