(2E)-3-(1-benzofuran-2-yl)-2-(5-ethanoyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-oxidanylidene-propanenitrile

Systemtic Name: (2E)-3-(1-benzofuran-2-yl)-2-(5-ethanoyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: (2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-(benzofuran-2-yl)-3-oxo-propanenitrile CAS Name: (2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-(2-benzofuranyl)-3-oxopropanenitrile IUPAC Name: (2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-(1-benzofuran-2-yl)-3-oxopropanenitrile Traditional Name: (2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-(benzofuran-2-yl)-3-keto-propionitrile Formula: C21H13N3O3S MolecularWeight: 387.41122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=C(C#N)C(=O)C2=CC3=CC=CC=C3O2)S1)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN(/C(=C(/C#N)\C(=O)C2=CC3=CC=CC=C3O2)/S1)C4=CC=CC=C4

InChI

InChI=1S/C21H13N3O3S/c1-13(25)20-23-24(15-8-3-2-4-9-15)21(28-20)16(12-22)19(26)18-11-14-7-5-6-10-17(14)27-18/h2-11H,1H3/b21-16+