1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-2-keto-5-nitro-nicotinonitrile Formula: C17H11ClN4O3S MolecularWeight: 386.81224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClN4O3S/c1-26-14-3-2-10-4-12(16(18)20-15(10)6-14)8-21-9-13(22(24)25)5-11(7-19)17(21)23/h2-6,9H,8H2,1H3