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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[(E)-3-oxidanylprop-1-enyl]quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[(E)-3-hydroxyprop-1-enyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[(E)-3-hydroxyprop-1-enyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[(E)-3-hydroxyprop-1-enyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[(E)-3-hydroxyprop-1-enyl]quinoline-3-carbonitrile Formula: C23H18ClN5OS MolecularWeight: 447.93992

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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=CCO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN5OS/c1-29-9-8-26-23(29)31-21-7-5-17(12-19(21)24)28-22-16(13-25)14-27-20-11-15(3-2-10-30)4-6-18(20)22/h2-9,11-12,14,30H,10H2,1H3,(H,27,28)/b3-2+