5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-3-(4-chlorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H15ClN4OS2 MolecularWeight: 438.953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4OS2/c1-12-19(13-6-8-14(22)9-7-13)20-23-15(10-18(27)26(20)25-12)11-28-21-24-16-4-2-3-5-17(16)29-21/h2-10,25H,11H2,1H3