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

Systemtic Name: ethyl 2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-4-26-19(24)14(2)27-20-22-21-18(15-10-6-5-7-11-15)23(20)16-12-8-9-13-17(16)25-3/h5-14H,4H2,1-3H3