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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[(E)-4-pyrrolidin-1-ylbut-1-enyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[(E)-4-pyrrolidin-1-ylbut-1-enyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[(E)-4-(1-pyrrolidinyl)but-1-enyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[(E)-4-pyrrolidin-1-ylbut-1-enyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[(E)-4-pyrrolidinobut-1-enyl]quinoline-3-carbonitrile Formula: C28H27ClN6S MolecularWeight: 515.07218

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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=CCCN5CCCC5)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)/C=C/CCN5CCCC5)Cl

InChI

InChI=1S/C28H27ClN6S/c1-34-15-11-31-28(34)36-26-10-8-22(17-24(26)29)33-27-21(18-30)19-32-25-16-20(7-9-23(25)27)6-2-3-12-35-13-4-5-14-35/h2,6-11,15-17,19H,3-5,12-14H2,1H3,(H,32,33)/b6-2+