2-[(2-bromophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2-bromophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(2-bromophenyl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(2-bromophenyl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2-bromophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(2-bromobenzyl)thio]-4,5,6-trimethyl-nicotinonitrile Formula: C16H15BrN2S MolecularWeight: 347.2727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC=C2Br)C

InChI

InChI=1S/C16H15BrN2S/c1-10-11(2)14(8-18)16(19-12(10)3)20-9-13-6-4-5-7-15(13)17/h4-7H,9H2,1-3H3