(1S)-1-(4-phenethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine

Systemtic Name: (1S)-1-(4-phenethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine Openeye Name: (1S)-1-(5-allylsulfonyl-4-phenethyl-1,2,4-triazol-3-yl)-2-phenyl-ethanamine CAS Name: (1S)-1-(4-phenethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)-2-phenylethanamine IUPAC Name: (1S)-1-(4-phenethyl-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl)-2-phenylethanamine Traditional Name: [(1S)-1-(5-allylsulfonyl-4-phenethyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]amine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)C(CC3=CC=CC=C3)N

Isomeric SMILES

C=CCS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N4O2S/c1-2-15-28(26,27)21-24-23-20(19(22)16-18-11-7-4-8-12-18)25(21)14-13-17-9-5-3-6-10-17/h2-12,19H,1,13-16,22H2/t19-/m0/s1