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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C17H20N4S2/c1-19(12-14-7-4-3-5-8-14)13-21-17(22)20(2)16(18-21)11-15-9-6-10-23-15/h3-10H,11-13H2,1-2H3/p+1