2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-2-(4-phenylcyclohexylidene)ethanenitrile

Systemtic Name: 2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-2-(4-phenylcyclohexylidene)ethanenitrile Openeye Name: 2-[4-(2-oxochromen-3-yl)thiazol-2-yl]-2-(4-phenylcyclohexylidene)acetonitrile CAS Name: 2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-(4-phenylcyclohexylidene)acetonitrile IUPAC Name: 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-(4-phenylcyclohexylidene)acetonitrile Traditional Name: 2-[4-(2-ketochromen-3-yl)thiazol-2-yl]-2-(4-phenylcyclohexylidene)acetonitrile Formula: C26H20N2O2S MolecularWeight: 424.5142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)CCC1C5=CC=CC=C5

Isomeric SMILES

C1CC(=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)CCC1C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O2S/c27-15-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)25-28-23(16-31-25)21-14-20-8-4-5-9-24(20)30-26(21)29/h1-9,14,16,18H,10-13H2