4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(5-methanoylfuran-2-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(5-methanoylfuran-2-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(5-formyl-2-furyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(5-formyl-2-furanyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(5-formylfuran-2-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(5-formyl-2-furyl)quinoline-3-carbonitrile Formula: C25H16ClN5O2S MolecularWeight: 485.94484

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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)C5=CC=C(O5)C=O)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(O5)C=O)Cl

InChI

InChI=1S/C25H16ClN5O2S/c1-31-9-8-28-25(31)34-23-7-3-17(11-20(23)26)30-24-16(12-27)13-29-21-10-15(2-5-19(21)24)22-6-4-18(14-32)33-22/h2-11,13-14H,1H3,(H,29,30)