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

Systemtic Name: (1S)-1-[5-methylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-(4-benzyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine CAS Name: (1S)-1-[5-methylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-(4-benzyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2-phenylethanamine Traditional Name: [(1S)-1-(4-benzyl-5-mesyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]amine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)C(CC3=CC=CC=C3)N

Isomeric SMILES

CS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C18H20N4O2S/c1-25(23,24)18-21-20-17(16(19)12-14-8-4-2-5-9-14)22(18)13-15-10-6-3-7-11-15/h2-11,16H,12-13,19H2,1H3/t16-/m0/s1