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

Systemtic Name: ethyl-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C19H25N6OS+ MolecularWeight: 385.5064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6OS/c1-3-23(14-16-4-8-20-9-5-16)15-25-19(27)24(12-13-26-2)18(22-25)17-6-10-21-11-7-17/h4-11H,3,12-15H2,1-2H3/p+1