(1S)-1-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine

Systemtic Name: (1S)-1-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-(5-ethylsulfonyl-4-isobutyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine CAS Name: (1S)-1-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-ethylsulfonyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-(5-esyl-4-isobutyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]amine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(N1CC(C)C)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(N1CC(C)C)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C16H24N4O2S/c1-4-23(21,22)16-19-18-15(20(16)11-12(2)3)14(17)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11,17H2,1-3H3/t14-/m0/s1