3-[3-[3-[(4-ethoxyphenoxy)methyl]phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-diethyl-azanium

Systemtic Name: 3-[3-[3-[(4-ethoxyphenoxy)methyl]phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-diethyl-azanium Openeye Name: 3-[3-[3-[(4-ethoxyphenoxy)methyl]phenyl]-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-diethyl-ammonium CAS Name: 3-[3-[3-[(4-ethoxyphenoxy)methyl]phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-diethylammonium IUPAC Name: 3-[3-[3-[(4-ethoxyphenoxy)methyl]phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propyl-diethylazanium Traditional Name: 3-[3-[3-[(4-ethoxyphenoxy)methyl]phenyl]-5-thioxo-1H-1,2,4-triazol-4-yl]propyl-diethyl-ammonium Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=NNC1=S)C2=CC(=CC=C2)COC3=CC=C(C=C3)OCC

Isomeric SMILES

CC[NH+](CC)CCCN1C(=NNC1=S)C2=CC(=CC=C2)COC3=CC=C(C=C3)OCC

InChI

InChI=1S/C24H32N4O2S/c1-4-27(5-2)15-8-16-28-23(25-26-24(28)31)20-10-7-9-19(17-20)18-30-22-13-11-21(12-14-22)29-6-3/h7,9-14,17H,4-6,8,15-16,18H2,1-3H3,(H,26,31)/p+1