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

Systemtic Name: methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(thiophen-3-ylmethyl)azanium Traditional Name: methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-(3-thenyl)ammonium Formula: C16H20N5S2+ MolecularWeight: 346.4935

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CC3=CSC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C16H19N5S2/c1-20(9-14-5-8-22-11-14)10-15-18-19-16(21(15)2)23-12-13-3-6-17-7-4-13/h3-8,11H,9-10,12H2,1-2H3/p+1