5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-2-methyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-2-methyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C14H11ClN3OS- MolecularWeight: 304.77464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1)N=C(C=C2[O-])CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN2C(=C1)N=C(C=C2[O-])CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H12ClN3OS/c1-9-6-13-16-11(7-14(19)18(13)17-9)8-20-12-4-2-10(15)3-5-12/h2-7,19H,8H2,1H3/p-1