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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(3-bromophenyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(3-bromobenzyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C15H13BrN2S MolecularWeight: 333.24612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC=C2)Br)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C15H13BrN2S/c1-10-6-11(2)18-15(14(10)8-17)19-9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3