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

Systemtic Name: (1S)-1-[4-(4-chlorophenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-allylsulfonyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[4-(4-chlorophenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[4-(4-chlorophenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-allylsulfonyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)Cl)C(CC3=CC=CC=C3)N

Isomeric SMILES

C=CCS(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)Cl)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C19H19ClN4O2S/c1-2-12-27(25,26)19-23-22-18(17(21)13-14-6-4-3-5-7-14)24(19)16-10-8-15(20)9-11-16/h2-11,17H,1,12-13,21H2/t17-/m0/s1