4-(2-methoxyphenyl)-5-[(2-phenoxyethanoylamino)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-methoxyphenyl)-5-[(2-phenoxyethanoylamino)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-methoxyphenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methoxyphenyl)-5-[[(1-oxo-2-phenoxyethyl)amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methoxyphenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-methoxyphenyl)-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C18H17N4O3S- MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2[S-])CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2[S-])CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-24-15-10-6-5-9-14(15)22-16(20-21-18(22)26)11-19-17(23)12-25-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,23)(H,21,26)/p-1