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

Systemtic Name: (4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[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-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzyl-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C17H21N4S2+ MolecularWeight: 345.50544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C17H20N4S2/c1-3-20-16(15-10-7-11-23-15)18-21(17(20)22)13-19(2)12-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3/p+1