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

Systemtic Name: (1S)-1-[5-(naphthalen-2-ylmethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[5-(2-naphthylmethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[5-(2-naphthalenylmethylthio)-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[5-(naphthalen-2-ylmethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[5-(2-naphthylmethylthio)-4-phenethyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C29H28N4S MolecularWeight: 464.62442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC4=CC=CC=C4C=C3)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC4=CC=CC=C4C=C3)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C29H28N4S/c30-27(20-23-11-5-2-6-12-23)28-31-32-29(33(28)18-17-22-9-3-1-4-10-22)34-21-24-15-16-25-13-7-8-14-26(25)19-24/h1-16,19,27H,17-18,20-21,30H2/t27-/m0/s1