ethyl 4-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-allyl-5-(3,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-allyl-5-(3,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1CC=C)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1CC=C)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C19H25N3O4S/c1-5-9-22-18(14-11-15(24-3)13-16(12-14)25-4)20-21-19(22)27-10-7-8-17(23)26-6-2/h5,11-13H,1,6-10H2,2-4H3