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

Systemtic Name: methyl-[(1-phenylpyrazol-4-yl)methyl]-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: methyl-[(1-phenylpyrazol-4-yl)methyl]-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: methyl-[(1-phenyl-4-pyrazolyl)methyl]-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: methyl-[(1-phenylpyrazol-4-yl)methyl]-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: methyl-[(1-phenylpyrazol-4-yl)methyl]-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C22H26N7S+ MolecularWeight: 420.55374

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N7S/c1-3-13-27-21(19-9-11-23-12-10-19)25-29(22(27)30)17-26(2)15-18-14-24-28(16-18)20-7-5-4-6-8-20/h4-12,14,16H,3,13,15,17H2,1-2H3/p+1