4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(3-methanoylthiophen-2-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(3-methanoylthiophen-2-yl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(3-formyl-2-thienyl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(3-formyl-2-thiophenyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(3-formylthiophen-2-yl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(3-formyl-2-thienyl)quinoline-3-carbonitrile Formula: C22H13Cl2N3O2S MolecularWeight: 454.32852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=C(C=CS4)C=O)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=C(C=CS4)C=O)Cl)Cl

InChI

InChI=1S/C22H13Cl2N3O2S/c1-29-20-8-19(16(23)7-17(20)24)27-21-14(9-25)10-26-18-6-12(2-3-15(18)21)22-13(11-28)4-5-30-22/h2-8,10-11H,1H3,(H,26,27)