4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hydroxy-benzeneamine oxide CAS Name: 4-[[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hydroxybenzeneamine oxide Traditional Name: 4-[[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-N-hydroxy-benzeneamine oxide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[NH+](O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[NH+](O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H26N4O2S/c1-23-18(20-9-14-6-15(10-20)8-16(7-14)11-20)21-22-19(23)27-12-13-2-4-17(5-3-13)24(25)26/h2-5,14-16,24-25H,6-12H2,1H3