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

Systemtic Name: 4-[3-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C19H18N3O3S- MolecularWeight: 368.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c23-18(24)15-7-9-16(10-8-15)25-11-4-12-26-19-20-17(21-22-19)13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H,23,24)(H,20,21,22)/p-1