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

Systemtic Name: butyl 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CS3

InChI

InChI=1S/C19H21N3O3S2/c1-3-4-11-25-17(23)13-27-19-21-20-18(16-10-7-12-26-16)22(19)14-8-5-6-9-15(14)24-2/h5-10,12H,3-4,11,13H2,1-2H3