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

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

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

Isomeric SMILES

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

InChI

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