5-methylsulfanyl-7-phenethyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-methylsulfanyl-7-phenethyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 5-methylsulfanyl-7-phenethyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-(methylthio)-7-phenethyl-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 5-methylsulfanyl-7-phenethylpyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 5-(methylthio)-7-phenethyl-pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=NN2C(=C1C#N)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=CC=NN2C(=C1C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C16H14N4S/c1-21-16-13(11-17)14(20-15(19-16)9-10-18-20)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3