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

Systemtic Name: (3-ethoxy-2-oxidanyl-phenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Openeye Name: (3-ethoxy-2-hydroxy-phenyl)methyl-methyl-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ammonium CAS Name: (3-ethoxy-2-hydroxyphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium IUPAC Name: (3-ethoxy-2-hydroxyphenyl)methyl-methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azanium Traditional Name: (3-ethoxy-2-hydroxy-benzyl)-methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]ammonium Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+](C)CC2=NN=C(N2C)SCC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+](C)CC2=NN=C(N2C)SCC3=CC=NC=C3

InChI

InChI=1S/C20H25N5O2S/c1-4-27-17-7-5-6-16(19(17)26)12-24(2)13-18-22-23-20(25(18)3)28-14-15-8-10-21-11-9-15/h5-11,26H,4,12-14H2,1-3H3/p+1