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

Systemtic Name: ethyl 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-5-28-20(25)14(2)29-21-23-22-19(24(21)16-9-7-6-8-10-16)15-11-12-17(26-3)18(13-15)27-4/h6-14H,5H2,1-4H3