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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)[O-])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H19N3O4S/c1-10(2)8-19-15(17-18-16(19)24-9-14(20)21)11-5-6-12(22-3)13(7-11)23-4/h5-7H,1,8-9H2,2-4H3,(H,20,21)/p-1