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

Systemtic Name: furan-2-ylmethyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: 2-furylmethyl-methyl-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: 2-furanylmethyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: 2-furfuryl-methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium Formula: C16H20N5OS+ MolecularWeight: 330.4279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C16H19N5OS/c1-20(10-14-4-3-9-22-14)11-15-18-19-16(21(15)2)23-12-13-5-7-17-8-6-13/h3-9H,10-12H2,1-2H3/p+1