4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-6,7-diethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-6,7-diethoxy-quinoline-3-carbonitrile Formula: C26H22ClN3O2S MolecularWeight: 475.98978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)SC4=CC=CC=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)SC4=CC=CC=C4)Cl)OCC

InChI

InChI=1S/C26H22ClN3O2S/c1-3-31-23-13-20-22(14-24(23)32-4-2)29-16-17(15-28)26(20)30-18-10-11-25(21(27)12-18)33-19-8-6-5-7-9-19/h5-14,16H,3-4H2,1-2H3,(H,29,30)