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

Systemtic Name: 2-[[4-prop-2-enyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(2-allylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-prop-2-enyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-prop-2-enyl-5-[(2-prop-2-enylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(2-allylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C17H18N3O3S- MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)[O-]

Isomeric SMILES

C=CCC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c1-3-7-13-8-5-6-9-14(13)23-11-15-18-19-17(20(15)10-4-2)24-12-16(21)22/h3-6,8-9H,1-2,7,10-12H2,(H,21,22)/p-1