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

Systemtic Name: [3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [3-(2-ethoxy-2-oxo-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [3-(2-ethoxy-2-keto-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H25N6O2S+ MolecularWeight: 401.5058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N6O2S/c1-4-27-18(26)10-17-21-25(19(28)23(17)3)14-22(2)12-15-11-20-24(13-15)16-8-6-5-7-9-16/h5-9,11,13H,4,10,12,14H2,1-3H3/p+1