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

Systemtic Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(3,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)[O-])C

InChI

InChI=1S/C16H19N3O3S/c1-4-7-19-14(17-18-16(19)23-10-15(20)21)9-22-13-6-5-11(2)12(3)8-13/h4-6,8H,1,7,9-10H2,2-3H3,(H,20,21)/p-1