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

Systemtic Name: ethyl 3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-methoxyphenyl)-4-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)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H21N3O3S/c1-3-26-18(24)13-14-27-20-22-21-19(16-11-7-8-12-17(16)25-2)23(20)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3