3-(3,4-dimethoxyphenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-(p-tolylsulfanylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[[(4-methylphenyl)thio]methyl]-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-2-methyl-5-[(p-tolylthio)methyl]pyrazolo[1,5-a]pyrimidin-7-olate Formula: C23H22N3O3S- MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NC3=C(C(=NN3C(=C2)[O-])C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NC3=C(C(=NN3C(=C2)[O-])C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H23N3O3S/c1-14-5-8-18(9-6-14)30-13-17-12-21(27)26-23(24-17)22(15(2)25-26)16-7-10-19(28-3)20(11-16)29-4/h5-12,27H,13H2,1-4H3/p-1