(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H25N6S+ MolecularWeight: 405.5391

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6S/c1-3-26-21(19-10-6-4-7-11-19)24-28(22(26)29)17-25(2)15-18-14-23-27(16-18)20-12-8-5-9-13-20/h4-14,16H,3,15,17H2,1-2H3/p+1