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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-allyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)O)OC

InChI

InChI=1S/C15H17N3O4S/c1-4-7-18-14(16-17-15(18)23-9-13(19)20)10-5-6-11(21-2)12(8-10)22-3/h4-6,8H,1,7,9H2,2-3H3,(H,19,20)