[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-methyl-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-methyl-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H26N5OS2+ MolecularWeight: 416.58334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS2/c1-20(2,3)21-17(26)13-23(4)14-24-19(27)25(15-9-6-5-7-10-15)18(22-24)16-11-8-12-28-16/h5-12H,13-14H2,1-4H3,(H,21,26)/p+1