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

Systemtic Name: (1S)-1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-[(3-methoxyphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-(m-anisylthio)-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C26H28N4OS/c1-31-23-14-8-13-22(17-23)19-32-26-29-28-25(24(27)18-21-11-6-3-7-12-21)30(26)16-15-20-9-4-2-5-10-20/h2-14,17,24H,15-16,18-19,27H2,1H3/t24-/m0/s1