2-[[4-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-oxidanyl-ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-oxidanyl-ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanehydroxamic acid CAS Name: N-hydroxy-2-[[4-(4-methoxyphenyl)-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-hydroxy-2-[[4-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanehydroxamic acid Formula: C16H16N6O3S2 MolecularWeight: 404.46664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NO)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NO)CSC3=NC=CC=N3

InChI

InChI=1S/C16H16N6O3S2/c1-25-12-5-3-11(4-6-12)22-13(9-26-15-17-7-2-8-18-15)19-20-16(22)27-10-14(23)21-24/h2-8,24H,9-10H2,1H3,(H,21,23)