4-oxidanylidene-6-phenoxy-2-(phenylmethylsulfanyl)-1H-quinoline-3-carbonitrile

Systemtic Name: 4-oxidanylidene-6-phenoxy-2-(phenylmethylsulfanyl)-1H-quinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-oxo-6-phenoxy-1H-quinoline-3-carbonitrile CAS Name: 4-oxo-6-phenoxy-2-(phenylmethylthio)-1H-quinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-oxo-6-phenoxy-1H-quinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-6-phenoxy-1H-quinoline-3-carbonitrile Formula: C23H16N2O2S MolecularWeight: 384.45034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)OC4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)OC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H16N2O2S/c24-14-20-22(26)19-13-18(27-17-9-5-2-6-10-17)11-12-21(19)25-23(20)28-15-16-7-3-1-4-8-16/h1-13H,15H2,(H,25,26)