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

Systemtic Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H25N6S+ MolecularWeight: 369.507

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H24N6S/c1-3-23-18(16-9-10-16)21-25(19(23)26)14-22(2)12-15-11-20-24(13-15)17-7-5-4-6-8-17/h4-8,11,13,16H,3,9-10,12,14H2,1-2H3/p+1