5-chloranyl-4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-chloranyl-4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-chloro-4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-chloro-4,6-dimethyl-2-[(4-nitrophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-chloro-4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-chloro-4,6-dimethyl-2-[(4-nitrobenzyl)thio]nicotinonitrile Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H12ClN3O2S/c1-9-13(7-17)15(18-10(2)14(9)16)22-8-11-3-5-12(6-4-11)19(20)21/h3-6H,8H2,1-2H3