6-(2-methylpropyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(2-methylpropyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-isobutyl-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-(2-methylpropyl)-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 6-(2-methylpropyl)-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 6-isobutyl-2-(phenacylthio)nicotinonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2OS/c1-13(2)10-16-9-8-15(11-19)18(20-16)22-12-17(21)14-6-4-3-5-7-14/h3-9,13H,10,12H2,1-2H3