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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)C2=CC=C(C=C2)Br

InChI

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