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

Systemtic Name: (4-tert-butylphenyl)methyl-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5OS/c1-23(2,3)20-8-6-18(7-9-20)16-26(4)17-28-22(30)27(14-15-29-5)21(25-28)19-10-12-24-13-11-19/h6-13H,14-17H2,1-5H3/p+1