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

Systemtic Name: 2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C18H16N3O2S2- MolecularWeight: 370.46854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C(=O)[O-])CSC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C(=O)[O-])CSC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S2/c1-21-16(12-24-14-8-3-2-4-9-14)19-20-18(21)25-11-13-7-5-6-10-15(13)17(22)23/h2-10H,11-12H2,1H3,(H,22,23)/p-1