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

Systemtic Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C20H22N7S+ MolecularWeight: 392.50058

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7S/c1-24(13-16-12-22-26(14-16)18-6-4-3-5-7-18)15-27-20(28)25(2)19(23-27)17-8-10-21-11-9-17/h3-12,14H,13,15H2,1-2H3/p+1