methyl-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: methyl-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C16H20N5S+ MolecularWeight: 314.4285

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C=CN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N5S/c1-18(13-20-9-8-19(2)16(20)22)11-14-10-17-21(12-14)15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3/p+1