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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C16H25N6OS+ MolecularWeight: 349.4743

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=NC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24N6OS/c1-16(2,3)18-13(23)10-20(4)11-22-15(24)21(5)14(19-22)12-6-8-17-9-7-12/h6-9H,10-11H2,1-5H3,(H,18,23)/p+1