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

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C16H13BrN2OS MolecularWeight: 361.25622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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