2-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-6,7-diethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 2-(3-chloro-4-phenylsulfanyl-anilino)-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-(phenylthio)anilino]-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 2-(3-chloro-4-phenylsulfanylanilino)-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-(phenylthio)anilino]-6,7-diethoxy-quinoline-3-carbonitrile Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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