5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=NC(=CC(=O)N2N1)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4OS2/c1-13-19(14-7-3-2-4-8-14)20-22-15(11-18(26)25(20)24-13)12-27-21-23-16-9-5-6-10-17(16)28-21/h2-11,24H,12H2,1H3