2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-chloro-7-methylsulfanyl-3-quinolyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-chloro-7-(methylthio)-3-quinolinyl]methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-chloro-7-(methylthio)-3-quinolyl]methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C20H18ClN3S2 MolecularWeight: 399.96002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

InChI

InChI=1S/C20H18ClN3S2/c1-11-12(2)17(9-22)20(23-13(11)3)26-10-15-7-14-5-6-16(25-4)8-18(14)24-19(15)21/h5-8H,10H2,1-4H3