5-[(3,4-dichlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[[(3,4-dichlorophenyl)thio]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[[(3,4-dichlorophenyl)thio]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C14H11Cl2N3OS MolecularWeight: 340.22764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2N1)CSC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2N1)CSC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H11Cl2N3OS/c1-8-4-13-17-9(5-14(20)19(13)18-8)7-21-10-2-3-11(15)12(16)6-10/h2-6,18H,7H2,1H3