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

Systemtic Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5S/c1-3-22-17(16-9-11-19-12-10-16)20-23(18(22)24)14-21(2)13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3/p+1