3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoate Formula: C23H13N4O4S- MolecularWeight: 441.43872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-])/C#N

InChI

InChI=1S/C23H14N4O4S/c24-13-17(21-26-27-23(32-21)25-20(28)14-5-2-1-3-6-14)12-18-9-10-19(31-18)15-7-4-8-16(11-15)22(29)30/h1-12H,(H,29,30)(H,25,27,28)/p-1/b17-12+