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

Systemtic Name: 2-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-6,7-diethoxy-quinoline-3-carbonitrile Formula: C24H22ClN5O2S MolecularWeight: 479.98178

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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=NC=CN4C)Cl)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C=C(C(=N2)NC3=CC(=C(C=C3)SC4=NC=CN4C)Cl)C#N)OCC

InChI

InChI=1S/C24H22ClN5O2S/c1-4-31-20-11-15-10-16(14-26)23(29-19(15)13-21(20)32-5-2)28-17-6-7-22(18(25)12-17)33-24-27-8-9-30(24)3/h6-13H,4-5H2,1-3H3,(H,28,29)