(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-azanium

Systemtic Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: (5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: (5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C17H28N5S+ MolecularWeight: 334.50272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)C[NH+](C)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)C[NH+](C)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H27N5S/c1-17(2,3)15-18-16(23)22(19-15)12-21(6)11-13-7-9-14(10-8-13)20(4)5/h7-10H,11-12H2,1-6H3,(H,18,19,23)/p+1