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

Systemtic Name: (1S)-1-[5-[(3-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-[(3-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-[(3-bromophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-[(3-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-[(3-bromobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C25H25BrN4S MolecularWeight: 493.4618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC(=CC=C3)Br)C(CC4=CC=CC=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN4S/c26-22-13-7-12-21(16-22)18-31-25-29-28-24(23(27)17-20-10-5-2-6-11-20)30(25)15-14-19-8-3-1-4-9-19/h1-13,16,23H,14-15,17-18,27H2/t23-/m0/s1