6-azanyl-4-[(3-chloranyl-4-imidazol-1-ylsulfanyl-phenyl)amino]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[(3-chloranyl-4-imidazol-1-ylsulfanyl-phenyl)amino]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-(3-chloro-4-imidazol-1-ylsulfanyl-anilino)-7-methoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-(1-imidazolylthio)anilino]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-(3-chloro-4-imidazol-1-ylsulfanylanilino)-7-methoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-(imidazol-1-ylthio)anilino]-7-methoxy-quinoline-3-carbonitrile Formula: C20H15ClN6OS MolecularWeight: 422.8907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SN4C=CN=C4)Cl)C#N)N

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SN4C=CN=C4)Cl)C#N)N

InChI

InChI=1S/C20H15ClN6OS/c1-28-18-8-17-14(7-16(18)23)20(12(9-22)10-25-17)26-13-2-3-19(15(21)6-13)29-27-5-4-24-11-27/h2-8,10-11H,23H2,1H3,(H,25,26)