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

Systemtic Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[(3-nitrobenzyl)thio]nicotinonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O2S/c1-10-6-11(2)17-15(14(10)8-16)21-9-12-4-3-5-13(7-12)18(19)20/h3-7H,9H2,1-2H3