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

Systemtic Name: ethyl 4-[2-oxidanyl-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: ethyl 4-[2-hydroxy-3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-hydroxy-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propoxy]benzoic acid ethyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NNC(=N2)C3=CC=CS3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NNC(=N2)C3=CC=CS3)O

InChI

InChI=1S/C18H19N3O4S2/c1-2-24-17(23)12-5-7-14(8-6-12)25-10-13(22)11-27-18-19-16(20-21-18)15-4-3-9-26-15/h3-9,13,22H,2,10-11H2,1H3,(H,19,20,21)