N-[4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-N-oxidanidyl-hydroxylamine

Systemtic Name: N-[4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-N-oxidanidyl-hydroxylamine Openeye Name: N-[4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-N-oxido-hydroxylamine CAS Name: N-[4-[[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]-N-oxidohydroxylamine IUPAC Name: N-[4-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-N-oxidohydroxylamine Traditional Name: N-[4-[[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]-N-oxido-hydroxylamine Formula: C20H25N4O2S- MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N4O2S/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/h2-5,14-16,25H,6-12H2,1H3/q-1