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

Systemtic Name: 4-[2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-methyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C19H17N4O3S2- MolecularWeight: 413.49328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])CSC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)[O-])CSC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S2/c1-23-16(11-27-15-5-3-2-4-6-15)21-22-19(23)28-12-17(24)20-14-9-7-13(8-10-14)18(25)26/h2-10H,11-12H2,1H3,(H,20,24)(H,25,26)/p-1