4-[[4-azanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[4-azanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C19H19N4O5S- MolecularWeight: 415.44296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-26-14-8-13(9-15(27-2)16(14)28-3)17-21-22-19(23(17)20)29-10-11-4-6-12(7-5-11)18(24)25/h4-9H,10,20H2,1-3H3,(H,24,25)/p-1