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

Systemtic Name: (1S)-1-[5-ethylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-(4-benzyl-5-ethylsulfonyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine CAS Name: (1S)-1-[5-ethylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-(4-benzyl-5-ethylsulfonyl-1,2,4-triazol-3-yl)-2-phenylethanamine Traditional Name: [(1S)-1-(4-benzyl-5-esyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]amine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-2-26(24,25)19-22-21-18(17(20)13-15-9-5-3-6-10-15)23(19)14-16-11-7-4-8-12-16/h3-12,17H,2,13-14,20H2,1H3/t17-/m0/s1