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

Systemtic Name: [4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C23H27N6S+ MolecularWeight: 419.56568

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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)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6S/c1-3-27-22(14-19-10-6-4-7-11-19)25-29(23(27)30)18-26(2)16-20-15-24-28(17-20)21-12-8-5-9-13-21/h4-13,15,17H,3,14,16,18H2,1-2H3/p+1