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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H12N3O4S- MolecularWeight: 318.32778

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13N3O4S/c1-2-5-17-13(15-16-14(17)22-7-12(18)19)9-3-4-10-11(6-9)21-8-20-10/h2-4,6H,1,5,7-8H2,(H,18,19)/p-1