4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-(5-methanoylthiophen-3-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-(5-methanoylthiophen-3-yl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-(5-formyl-3-thienyl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-6-(5-formyl-3-thiophenyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-(5-formylthiophen-3-yl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-(5-formyl-3-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=C(C=CC3=NC=C2C#N)C4=CSC(=C4)C=O)Cl)Cl

Isomeric SMILES

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

InChI

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