2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-isopropyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-isopropyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C18H16BrN4OS+ MolecularWeight: 416.31484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)Br)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)Br)N)C#N

InChI

InChI=1S/C18H15BrN4OS/c1-10(2)16-13(7-20)17(22)23-18(14(16)8-21)25-9-15(24)11-3-5-12(19)6-4-11/h3-6,10H,9H2,1-2H3,(H2,22,23)/p+1