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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-ethyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-ethyl-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-ethyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-ethyl-4,6-dimethyl-nicotinonitrile Formula: C18H17BrN2OS MolecularWeight: 389.30938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C18H17BrN2OS/c1-4-15-11(2)16(9-20)18(21-12(15)3)23-10-17(22)13-5-7-14(19)8-6-13/h5-8H,4,10H2,1-3H3