4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-[(E)-4-oxidanylbut-1-enyl]quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-[(E)-4-oxidanylbut-1-enyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[(E)-4-hydroxybut-1-enyl]-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[(E)-4-hydroxybut-1-enyl]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[(E)-4-hydroxybut-1-enyl]-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[(E)-4-hydroxybut-1-enyl]-6-methoxy-quinoline-3-carbonitrile Formula: C25H22ClN5O2S MolecularWeight: 491.99248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)C=CCCO)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)/C=C/CCO)C#N)Cl

InChI

InChI=1S/C25H22ClN5O2S/c1-31-9-8-28-25(31)34-23-7-6-18(12-20(23)26)30-24-17(14-27)15-29-21-11-16(5-3-4-10-32)22(33-2)13-19(21)24/h3,5-9,11-13,15,32H,4,10H2,1-2H3,(H,29,30)/b5-3+