5-chloranyl-4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-chloranyl-4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 5-chloro-4,6-dimethyl-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 5-chloro-4,6-dimethyl-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 5-chloro-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 5-chloro-4,6-dimethyl-2-(phenacylthio)nicotinonitrile Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)SCC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)SCC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H13ClN2OS/c1-10-13(8-18)16(19-11(2)15(10)17)21-9-14(20)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3