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

Systemtic Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H25N6S2+ MolecularWeight: 425.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CN(N=C2)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H24N6S2/c1-3-26-20(19-10-7-11-29-19)23-27(21(26)28)16-24(2)13-18-12-22-25(15-18)14-17-8-5-4-6-9-17/h4-12,15H,3,13-14,16H2,1-2H3/p+1