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

Systemtic Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C18H25N6S+ MolecularWeight: 357.4963

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N6S/c1-18(2,3)16-20-17(25)24(21-16)13-22(4)11-14-10-19-23(12-14)15-8-6-5-7-9-15/h5-10,12H,11,13H2,1-4H3,(H,20,21,25)/p+1