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

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-thiophen-3-yl-quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(3-thienyl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(3-thiophenyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-thiophen-3-ylquinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(3-thienyl)quinoline-3-carbonitrile Formula: C21H13Cl2N3OS MolecularWeight: 426.31842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N3OS/c1-27-20-8-19(16(22)7-17(20)23)26-21-14(9-24)10-25-18-6-12(2-3-15(18)21)13-4-5-28-11-13/h2-8,10-11H,1H3,(H,25,26)