3-[[4-phenyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-phenyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-phenyl-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-phenyl-5-(2-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-phenyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-phenyl-5-(2-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C22H17N5OS2 MolecularWeight: 431.53328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=N3)CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=N3)CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C22H17N5OS2/c28-22-26(18-11-4-5-12-19(18)30-22)14-20-24-25-21(27(20)17-9-2-1-3-10-17)29-15-16-8-6-7-13-23-16/h1-13H,14-15H2