4-[2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzoate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c22-17(23)14-6-8-15(9-7-14)24-10-11-25-18-19-16(20-21-18)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,22,23)(H,19,20,21)/p-1