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

Systemtic Name: (1S)-1-[5-[(4-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[4-phenethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-[(4-methylphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-[(4-methylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-[(4-methylbenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C26H28N4S MolecularWeight: 428.59232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C26H28N4S/c1-20-12-14-23(15-13-20)19-31-26-29-28-25(24(27)18-22-10-6-3-7-11-22)30(26)17-16-21-8-4-2-5-9-21/h2-15,24H,16-19,27H2,1H3/t24-/m0/s1