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

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-[(4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[(4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-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=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+](C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

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