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

Systemtic Name: 4,6-dimethyl-2-[3-(4-nitrophenoxy)propylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[3-(4-nitrophenoxy)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[3-(4-nitrophenoxy)propylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[3-(4-nitrophenoxy)propylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[3-(4-nitrophenoxy)propylthio]nicotinonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCOC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCOC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O3S/c1-12-10-13(2)19-17(16(12)11-18)24-9-3-8-23-15-6-4-14(5-7-15)20(21)22/h4-7,10H,3,8-9H2,1-2H3