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

Systemtic Name: 2-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 2-(3-chloro-4-phenylsulfanyl-anilino)-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-(phenylthio)anilino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 2-(3-chloro-4-phenylsulfanylanilino)-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-(phenylthio)anilino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C24H18ClN3O2S MolecularWeight: 447.93662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)NC3=CC(=C(C=C3)SC4=CC=CC=C4)Cl)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)NC3=CC(=C(C=C3)SC4=CC=CC=C4)Cl)C#N)OC

InChI

InChI=1S/C24H18ClN3O2S/c1-29-21-11-15-10-16(14-26)24(28-20(15)13-22(21)30-2)27-17-8-9-23(19(25)12-17)31-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,27,28)