3-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C26H25N5S MolecularWeight: 439.5752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5S/c27-18-22-12-7-13-23(16-22)19-32-26-30-29-25(24(28)17-21-10-5-2-6-11-21)31(26)15-14-20-8-3-1-4-9-20/h1-13,16,24H,14-15,17,19,28H2/t24-/m0/s1