methyl 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N3O5S/c1-24-18(23)11-28-19-21-20-17(22(19)13-5-3-2-4-6-13)10-25-14-7-8-15-16(9-14)27-12-26-15/h2-9H,10-12H2,1H3