4-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C[C@]1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-20(12-26-15-5-3-4-6-16(15)27-20)18-21-22-19(23(18)2)28-11-13-7-9-14(10-8-13)17(24)25/h3-10H,11-12H2,1-2H3,(H,24,25)/p-1/t20-/m0/s1