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

Systemtic Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-allylsulfonyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[4-[(4-methylphenyl)methyl]-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-allylsulfonyl-4-(4-methylbenzyl)-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:

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC=C)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC=C)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N4O2S/c1-3-13-28(26,27)21-24-23-20(19(22)14-17-7-5-4-6-8-17)25(21)15-18-11-9-16(2)10-12-18/h3-12,19H,1,13-15,22H2,2H3/t19-/m0/s1