3-[[4-phenethyl-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-phenethyl-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-phenethyl-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-phenethyl-5-[[(1S)-1-phenylethyl]thio]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-phenethyl-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-phenethyl-5-[[(1S)-1-phenylethyl]thio]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C26H24N4OS2 MolecularWeight: 472.62496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C26H24N4OS2/c1-19(21-12-6-3-7-13-21)32-25-28-27-24(29(25)17-16-20-10-4-2-5-11-20)18-30-22-14-8-9-15-23(22)33-26(30)31/h2-15,19H,16-18H2,1H3/t19-/m0/s1