3-[[7-methylsulfanyl-5,8-bis(oxidanylidene)quinolin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[7-methylsulfanyl-5,8-bis(oxidanylidene)quinolin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[(7-methylsulfanyl-5,8-dioxo-6-quinolyl)amino]benzonitrile CAS Name: 3-[[7-(methylthio)-5,8-dioxo-6-quinolinyl]amino]benzonitrile IUPAC Name: 3-[(7-methylsulfanyl-5,8-dioxoquinolin-6-yl)amino]benzonitrile Traditional Name: 3-[[5,8-diketo-7-(methylthio)-6-quinolyl]amino]benzonitrile Formula: C17H11N3O2S MolecularWeight: 321.35314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H11N3O2S/c1-23-17-14(20-11-5-2-4-10(8-11)9-18)15(21)12-6-3-7-19-13(12)16(17)22/h2-8,20H,1H3