[4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C25H18N4O5S2 MolecularWeight: 518.56422

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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)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H18N4O5S2/c1-33-22-15-17(12-13-21(22)34-36(31,32)20-10-6-3-7-11-20)14-19(16-26)24-28-29-25(35-24)27-23(30)18-8-4-2-5-9-18/h2-15H,1H3,(H,27,29,30)/b19-14+