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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N3O5S/c1-12-20-21-19(22(12)13-3-5-14(24-2)6-4-13)28-10-18(23)27-15-7-8-16-17(9-15)26-11-25-16/h3-9H,10-11H2,1-2H3