(4-ethoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-ethoxyphenyl)methyl-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (4-ethoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (4-ethoxyphenyl)methyl-methyl-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-ethoxybenzyl)-methyl-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C21H28N5OS+ MolecularWeight: 398.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OCC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OCC)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5OS/c1-4-14-25-20(18-10-12-22-13-11-18)23-26(21(25)28)16-24(3)15-17-6-8-19(9-7-17)27-5-2/h6-13H,4-5,14-16H2,1-3H3/p+1