ethyl 4-[3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(COC2=CC=C(C=C2)C(=O)OCC)O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(COC2=CC=C(C=C2)C(=O)OCC)O

InChI

InChI=1S/C18H25N3O5S/c1-3-5-10-21-17(24)19-20-18(21)27-12-14(22)11-26-15-8-6-13(7-9-15)16(23)25-4-2/h6-9,14,22H,3-5,10-12H2,1-2H3,(H,19,24)