(5-bromanylthiophen-2-yl)methyl-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C16H17BrN3OS2+ MolecularWeight: 411.35968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C16H16BrN3OS2/c1-20(10-12-6-7-15(17)23-12)11-16(21)19-13-4-2-3-5-14(13)22-9-8-18/h2-7H,9-11H2,1H3,(H,19,21)/p+1