7-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-7-(p-tolyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-(4-methylphenyl)-2-(phenylmethylthio)-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 2-(benzylthio)-7-(p-tolyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C21H16N4S MolecularWeight: 356.44354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=NC3=C(C(=NN23)SCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=NC3=C(C(=NN23)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H16N4S/c1-15-7-9-17(10-8-15)19-11-12-23-20-18(13-22)21(24-25(19)20)26-14-16-5-3-2-4-6-16/h2-12H,14H2,1H3