(4-tert-butylphenyl)methyl-[[5-(dimethylsulfamoyl)-2-sulfanylidene-pyridin-1-yl]methyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[[5-(dimethylsulfamoyl)-2-sulfanylidene-pyridin-1-yl]methyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[[5-(dimethylsulfamoyl)-2-thioxo-1-pyridyl]methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[[5-(dimethylsulfamoyl)-2-sulfanylidene-1-pyridinyl]methyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[[5-(dimethylsulfamoyl)-2-sulfanylidenepyridin-1-yl]methyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[[5-(dimethylsulfamoyl)-2-thioxo-1-pyridyl]methyl]-methyl-ammonium Formula: C20H30N3O2S2+ MolecularWeight: 408.6011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C=C(C=CC2=S)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CN2C=C(C=CC2=S)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H29N3O2S2/c1-20(2,3)17-9-7-16(8-10-17)13-22(6)15-23-14-18(11-12-19(23)26)27(24,25)21(4)5/h7-12,14H,13,15H2,1-6H3/p+1