(4-tert-butylphenyl)methyl-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C22H27N3OS/c1-22(2,3)18-11-9-17(10-12-18)15-25(4)16-21(26)24-19-7-5-6-8-20(19)27-14-13-23/h5-12H,14-16H2,1-4H3,(H,24,26)/p+1