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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-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]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[(E)-4-hydroxybut-1-enyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[(E)-4-hydroxybut-1-enyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[(E)-4-hydroxybut-1-enyl]quinoline-3-carbonitrile Formula: C24H20ClN5OS MolecularWeight: 461.9665

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C=CCCO)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)/C=C/CCO)Cl

InChI

InChI=1S/C24H20ClN5OS/c1-30-10-9-27-24(30)32-22-8-6-18(13-20(22)25)29-23-17(14-26)15-28-21-12-16(4-2-3-11-31)5-7-19(21)23/h2,4-10,12-13,15,31H,3,11H2,1H3,(H,28,29)/b4-2+