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

Systemtic Name: methyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-13(19(24)27-4)28-20-22-21-18(14-8-6-5-7-9-14)23(20)15-10-11-16(25-2)17(12-15)26-3/h5-13H,1-4H3