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

Systemtic Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C18H23N6S+ MolecularWeight: 355.48042

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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)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C18H22N6S/c1-21(13-24-18(25)22(2)17(20-24)15-8-9-15)11-14-10-19-23(12-14)16-6-4-3-5-7-16/h3-7,10,12,15H,8-9,11,13H2,1-2H3/p+1