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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[(E)-3-pyrrolidin-1-ylprop-1-enyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[(E)-3-pyrrolidin-1-ylprop-1-enyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[(E)-3-(1-pyrrolidinyl)prop-1-enyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[(E)-3-pyrrolidin-1-ylprop-1-enyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[(E)-3-pyrrolidinoprop-1-enyl]quinoline-3-carbonitrile Formula: C27H25ClN6S MolecularWeight: 501.0456

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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=CCN5CCCC5)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)/C=C/CN5CCCC5)Cl

InChI

InChI=1S/C27H25ClN6S/c1-33-14-10-30-27(33)35-25-9-7-21(16-23(25)28)32-26-20(17-29)18-31-24-15-19(6-8-22(24)26)5-4-13-34-11-2-3-12-34/h4-10,14-16,18H,2-3,11-13H2,1H3,(H,31,32)/b5-4+