6-[[4-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[4-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[4-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]-1-piperidyl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[4-[4-(4-chloro-3-nitrophenyl)-2-thiazolyl]-1-piperidinyl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[4-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]piperidino]methyl]-2-(methylthio)nicotinonitrile Formula: C22H20ClN5O2S2 MolecularWeight: 486.0095

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCC(CC2)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCC(CC2)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H20ClN5O2S2/c1-31-21-16(11-24)2-4-17(25-21)12-27-8-6-14(7-9-27)22-26-19(13-32-22)15-3-5-18(23)20(10-15)28(29)30/h2-5,10,13-14H,6-9,12H2,1H3