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

Systemtic Name: (1S)-1-[4-(2-methylpropyl)-5-methylsulfonyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-(4-isobutyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine CAS Name: (1S)-1-[4-(2-methylpropyl)-5-methylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[4-(2-methylpropyl)-5-methylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-(4-isobutyl-5-mesyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]amine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1S(=O)(=O)C)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)CN1C(=NN=C1S(=O)(=O)C)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C15H22N4O2S/c1-11(2)10-19-14(17-18-15(19)22(3,20)21)13(16)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10,16H2,1-3H3/t13-/m0/s1