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

Systemtic Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: (5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: (5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C13H23N6S+ MolecularWeight: 295.42692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N6S/c1-13(2,3)11-15-12(20)19(16-11)9-17(4)7-10-6-14-18(5)8-10/h6,8H,7,9H2,1-5H3,(H,15,16,20)/p+1