methyl 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylethanoate Openeye Name: methyl 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]acetic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)SCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)SCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-11-8-14(22-10-15(20)21-2)19-16(18-11)13(9-17-19)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3