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

Systemtic Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-(4-tert-butylbenzyl)sulfonyl-4-ethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C23H30N4O2S/c1-5-27-21(20(24)15-17-9-7-6-8-10-17)25-26-22(27)30(28,29)16-18-11-13-19(14-12-18)23(2,3)4/h6-14,20H,5,15-16,24H2,1-4H3/t20-/m0/s1