4,6-dimethyl-2-[2-(4-nitrophenoxy)ethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-(4-nitrophenoxy)ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-(4-nitrophenoxy)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[2-(4-nitrophenoxy)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-(4-nitrophenoxy)ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[2-(4-nitrophenoxy)ethylthio]nicotinonitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCOC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCOC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O3S/c1-11-9-12(2)18-16(15(11)10-17)23-8-7-22-14-5-3-13(4-6-14)19(20)21/h3-6,9H,7-8H2,1-2H3