methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(4-phenyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[[4-phenyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C21H22N5S2+ MolecularWeight: 408.56288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5S2/c1-24(14-12-17-8-5-6-13-22-17)16-25-21(27)26(18-9-3-2-4-10-18)20(23-25)19-11-7-15-28-19/h2-11,13,15H,12,14,16H2,1H3/p+1