2-[(4-iodophenyl)methylsulfanyl]-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-iodophenyl)methylsulfanyl]-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-iodophenyl)methylsulfanyl]-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[(4-iodophenyl)methylthio]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-iodophenyl)methylsulfanyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-[(4-iodobenzyl)thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C16H15IN2OS MolecularWeight: 410.27257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)I

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC2=CC=C(C=C2)I

InChI

InChI=1S/C16H15IN2OS/c1-11-7-13(9-20-2)15(8-18)16(19-11)21-10-12-3-5-14(17)6-4-12/h3-7H,9-10H2,1-2H3