2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C17H13BrN2O2S MolecularWeight: 389.26632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O2S/c1-10-15(11(2)21)7-13(8-19)17(20-10)23-9-16(22)12-3-5-14(18)6-4-12/h3-7H,9H2,1-2H3