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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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