2-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC4=CC(=C(C=C4C=C3C#N)OC)OC)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC4=CC(=C(C=C4C=C3C#N)OC)OC)Cl

InChI

InChI=1S/C22H18ClN5O2S/c1-28-7-6-25-22(28)31-20-5-4-15(10-16(20)23)26-21-14(12-24)8-13-9-18(29-2)19(30-3)11-17(13)27-21/h4-11H,1-3H3,(H,26,27)