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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[(E)-4-piperidin-1-ylbut-1-enyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[(E)-4-(1-piperidyl)but-1-enyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[(E)-4-(1-piperidinyl)but-1-enyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[(E)-4-piperidin-1-ylbut-1-enyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[(E)-4-piperidinobut-1-enyl]quinoline-3-carbonitrile Formula: C29H29ClN6S MolecularWeight: 529.09876

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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=CCCN5CCCCC5)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)/C=C/CCN5CCCCC5)Cl

InChI

InChI=1S/C29H29ClN6S/c1-35-16-12-32-29(35)37-27-11-9-23(18-25(27)30)34-28-22(19-31)20-33-26-17-21(8-10-24(26)28)7-3-6-15-36-13-4-2-5-14-36/h3,7-12,16-18,20H,2,4-6,13-15H2,1H3,(H,33,34)/b7-3+