[3-(3,5-dimethylpyrazol-1-yl)-6-sulfanylidene-pyridazin-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [3-(3,5-dimethylpyrazol-1-yl)-6-sulfanylidene-pyridazin-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [3-(3,5-dimethylpyrazol-1-yl)-6-thioxo-pyridazin-1-yl]methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [3-(3,5-dimethyl-1-pyrazolyl)-6-sulfanylidene-1-pyridazinyl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [3-(3,5-dimethylpyrazol-1-yl)-6-sulfanylidenepyridazin-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [3-(3,5-dimethylpyrazol-1-yl)-6-thioxo-pyridazin-1-yl]methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C21H28N5S+ MolecularWeight: 382.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN(C(=S)C=C2)C[NH+](C)CC3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN(C(=S)C=C2)C[NH+](C)CC3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C21H27N5S/c1-15(2)19-8-6-18(7-9-19)13-24(5)14-25-21(27)11-10-20(23-25)26-17(4)12-16(3)22-26/h6-12,15H,13-14H2,1-5H3/p+1