6-azanyl-4-[[3-chloranyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-(1,3-thiazol-2-ylsulfanyl)phenyl]amino]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-(3-chloro-4-thiazol-2-ylsulfanyl-anilino)-7-methoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-(2-thiazolylthio)anilino]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-(1,3-thiazol-2-ylsulfanyl)anilino]-7-methoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-(thiazol-2-ylthio)anilino]-7-methoxy-quinoline-3-carbonitrile Formula: C20H14ClN5OS2 MolecularWeight: 439.94106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC=CS4)Cl)C#N)N

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC=CS4)Cl)C#N)N

InChI

InChI=1S/C20H14ClN5OS2/c1-27-17-8-16-13(7-15(17)23)19(11(9-22)10-25-16)26-12-2-3-18(14(21)6-12)29-20-24-4-5-28-20/h2-8,10H,23H2,1H3,(H,25,26)