5,7-dimethyl-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5,7-dimethyl-2-(phenylmethylthio)-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 2-(benzylthio)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C(=NN12)SCC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC2=C(C(=NN12)SCC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C16H14N4S/c1-11-8-12(2)20-15(18-11)14(9-17)16(19-20)21-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3