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

Systemtic Name: (1S)-1-[5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-[(3-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-[(3-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-[(3-nitrobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C25H25N5O2S/c26-23(17-20-10-5-2-6-11-20)24-27-28-25(29(24)15-14-19-8-3-1-4-9-19)33-18-21-12-7-13-22(16-21)30(31)32/h1-13,16,23H,14-15,17-18,26H2/t23-/m0/s1