6-azanyl-4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]quinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]quinoline-3-carbonitrile Formula: C20H15ClN6S MolecularWeight: 406.8913

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN6S/c1-27-7-6-24-20(27)28-18-5-3-14(9-16(18)21)26-19-12(10-22)11-25-17-4-2-13(23)8-15(17)19/h2-9,11H,23H2,1H3,(H,25,26)