tert-butyl 2-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-allyl-5-(3,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(3,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C19H25N3O4S/c1-7-8-22-17(13-9-14(24-5)11-15(10-13)25-6)20-21-18(22)27-12-16(23)26-19(2,3)4/h7,9-11H,1,8,12H2,2-6H3