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

Systemtic Name: methyl 4-[2-oxidanyl-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoic acid methyl ester Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)O

InChI

InChI=1S/C23H21N3O4S2/c1-29-22(28)16-9-11-19(12-10-16)30-14-18(27)15-32-23-25-24-21(20-8-5-13-31-20)26(23)17-6-3-2-4-7-17/h2-13,18,27H,14-15H2,1H3