N-[4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-3-cyano-quinolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-3-cyano-quinolin-6-yl]prop-2-enamide Openeye Name: N-[4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-3-cyano-6-quinolyl]prop-2-enamide CAS Name: N-[4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-3-cyano-6-quinolinyl]-2-propenamide IUPAC Name: N-[4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-3-cyanoquinolin-6-yl]prop-2-enamide Traditional Name: N-[4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-3-cyano-6-quinolyl]acrylamide Formula: C23H17ClN6OS MolecularWeight: 460.93868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN6OS/c1-3-21(31)28-15-4-6-19-17(10-15)22(14(12-25)13-27-19)29-16-5-7-20(18(24)11-16)32-23-26-8-9-30(23)2/h3-11,13H,1H2,2H3,(H,27,29)(H,28,31)