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

Systemtic Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-p-anisyl-ammonium Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

InChI

InChI=1S/C20H25N5O2S/c1-23(14-16-4-6-18(27-3)7-5-16)15-25-20(28)24(12-13-26-2)19(22-25)17-8-10-21-11-9-17/h4-11H,12-15H2,1-3H3/p+1