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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-ethyl-5-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-ethyl-5-methyl-nicotinonitrile Formula: C17H15BrN2OS MolecularWeight: 375.2828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C

InChI

InChI=1S/C17H15BrN2OS/c1-3-15-11(2)8-13(9-19)17(20-15)22-10-16(21)12-4-6-14(18)7-5-12/h4-8H,3,10H2,1-2H3