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

Systemtic Name: (1S)-1-[5-ethylsulfonyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-ethylsulfonyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-ethylsulfonyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-ethylsulfonyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-esyl-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-3-27(25,26)20-23-22-19(18(21)13-16-7-5-4-6-8-16)24(20)14-17-11-9-15(2)10-12-17/h4-12,18H,3,13-14,21H2,1-2H3/t18-/m0/s1