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

Systemtic Name: 5-ethyl-4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-ethyl-4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-ethyl-4,6-dimethyl-2-[(4-nitrophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 5-ethyl-4,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-ethyl-4,6-dimethyl-2-[(4-nitrobenzyl)thio]nicotinonitrile Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C)C#N)SCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(N=C(C(=C1C)C#N)SCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O2S/c1-4-15-11(2)16(9-18)17(19-12(15)3)23-10-13-5-7-14(8-6-13)20(21)22/h5-8H,4,10H2,1-3H3