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

Systemtic Name: (1S)-1-[5-[(3-methylphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-(m-tolylmethylsulfonyl)-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-[(3-methylphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-[(3-methylphenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-(3-methylbenzyl)sulfonyl-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2CCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2CCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C26H28N4O2S/c1-20-9-8-14-23(17-20)19-33(31,32)26-29-28-25(24(27)18-22-12-6-3-7-13-22)30(26)16-15-21-10-4-2-5-11-21/h2-14,17,24H,15-16,18-19,27H2,1H3/t24-/m0/s1