2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C19H18N3O2S2- MolecularWeight: 384.49512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C(=O)[O-])CSC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C(=O)[O-])CSC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S2/c1-2-22-17(13-25-15-9-4-3-5-10-15)20-21-19(22)26-12-14-8-6-7-11-16(14)18(23)24/h3-11H,2,12-13H2,1H3,(H,23,24)/p-1