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

Systemtic Name: [3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H25N6OS+ MolecularWeight: 421.5385

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H24N6OS/c1-25(14-17-13-23-27(15-17)19-7-5-4-6-8-19)16-28-22(30)26(2)21(24-28)18-9-11-20(29-3)12-10-18/h4-13,15H,14,16H2,1-3H3/p+1