(3-ethoxy-4-methoxy-phenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: (3-ethoxy-4-methoxy-phenyl)methyl-methyl-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: (3-ethoxy-4-methoxyphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: (3-ethoxy-4-methoxyphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: (3-ethoxy-4-methoxy-benzyl)-methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](C)CC2=NN=C(N2C)SCC3=CC=NC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](C)CC2=NN=C(N2C)SCC3=CC=NC=C3)OC

InChI

InChI=1S/C21H27N5O2S/c1-5-28-19-12-17(6-7-18(19)27-4)13-25(2)14-20-23-24-21(26(20)3)29-15-16-8-10-22-11-9-16/h6-12H,5,13-15H2,1-4H3/p+1