2-phenacylsulfanyl-6-propyl-pyridine-3-carbonitrile

Systemtic Name: 2-phenacylsulfanyl-6-propyl-pyridine-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-6-propyl-pyridine-3-carbonitrile CAS Name: 2-(phenacylthio)-6-propyl-3-pyridinecarbonitrile IUPAC Name: 2-phenacylsulfanyl-6-propylpyridine-3-carbonitrile Traditional Name: 2-(phenacylthio)-6-propyl-nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2OS/c1-2-6-15-10-9-14(11-18)17(19-15)21-12-16(20)13-7-4-3-5-8-13/h3-5,7-10H,2,6,12H2,1H3