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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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