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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

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