2-(4-methoxyphenoxy)ethyl-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: 2-(4-methoxyphenoxy)ethyl-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 2-(4-methoxyphenoxy)ethyl-[[4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 2-(4-methoxyphenoxy)ethyl-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 2-(4-methoxyphenoxy)ethyl-[[4-(4-methoxyphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: 2-(4-methoxyphenoxy)ethyl-[[4-(4-methoxyphenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C25H28N5O3S+ MolecularWeight: 478.58652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N5O3S/c1-28(16-17-33-23-10-8-22(32-3)9-11-23)18-29-25(34)30(20-4-6-21(31-2)7-5-20)24(27-29)19-12-14-26-15-13-19/h4-15H,16-18H2,1-3H3/p+1