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

Systemtic Name: ethyl 2-[[5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-5-7-20-16(12-8-13(22-3)10-14(9-12)23-4)18-19-17(20)25-11-15(21)24-6-2/h5,8-10H,1,6-7,11H2,2-4H3