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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(4-methanoylphenyl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(4-formylphenyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(4-formylphenyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(4-formylphenyl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(4-formylphenyl)quinoline-3-carbonitrile Formula: C27H18ClN5OS MolecularWeight: 495.98272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(C=C5)C=O)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(C=C5)C=O)Cl

InChI

InChI=1S/C27H18ClN5OS/c1-33-11-10-30-27(33)35-25-9-7-21(13-23(25)28)32-26-20(14-29)15-31-24-12-19(6-8-22(24)26)18-4-2-17(16-34)3-5-18/h2-13,15-16H,1H3,(H,31,32)