propyl 3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: propyl 3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: propyl 3-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]propanoic acid propyl ester IUPAC Name: propyl 3-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionic acid propyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCSC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CS3

Isomeric SMILES

CCCOC(=O)CCSC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CS3

InChI

InChI=1S/C19H21N3O3S2/c1-3-11-25-17(23)10-13-27-19-21-20-18(16-9-6-12-26-16)22(19)14-7-4-5-8-15(14)24-2/h4-9,12H,3,10-11,13H2,1-2H3