1-[(2S,3S)-2-isocyano-3-methyl-pentyl]-4-(phenoxymethyl)-1,2,3-triazole

Systemtic Name: 1-[(2S,3S)-2-isocyano-3-methyl-pentyl]-4-(phenoxymethyl)-1,2,3-triazole Openeye Name: 1-[(2S,3S)-2-isocyano-3-methyl-pentyl]-4-(phenoxymethyl)triazole CAS Name: 1-[(2S,3S)-2-isocyano-3-methylpentyl]-4-(phenoxymethyl)triazole IUPAC Name: 1-[(2S,3S)-2-isocyano-3-methylpentyl]-4-(phenoxymethyl)triazole Traditional Name: 1-[(2S,3S)-2-isocyano-3-methyl-pentyl]-4-(phenoxymethyl)triazole Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN1C=C(N=N1)COC2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CC[C@H](C)[C@@H](CN1C=C(N=N1)COC2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C16H20N4O/c1-4-13(2)16(17-3)11-20-10-14(18-19-20)12-21-15-8-6-5-7-9-15/h5-10,13,16H,4,11-12H2,1-2H3/t13-,16+/m0/s1