2-[(3-bromophenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(3-bromophenyl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(3-bromophenyl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(3-bromophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(3-bromobenzyl)thio]-6-methyl-nicotinonitrile Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC(=CC=C2)Br)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC(=CC=C2)Br)C#N)C(=O)C

InChI

InChI=1S/C16H13BrN2OS/c1-10-15(11(2)20)7-13(8-18)16(19-10)21-9-12-4-3-5-14(17)6-12/h3-7H,9H2,1-2H3