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

Systemtic Name: 2-(phenylmethylsulfanyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 2-(phenylmethylthio)-5,7-bis(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 2-(benzylthio)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C16H8F6N4S MolecularWeight: 402.316939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN3C(=CC(=NC3=C2C#N)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C(=CC(=NC3=C2C#N)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H8F6N4S/c17-15(18,19)11-6-12(16(20,21)22)26-13(24-11)10(7-23)14(25-26)27-8-9-4-2-1-3-5-9/h1-6H,8H2