2-tert-butylsulfanyl-5-fluoranyl-4-(3,4,5-trimethylpyrazol-1-yl)benzenecarbonitrile

Systemtic Name: 2-tert-butylsulfanyl-5-fluoranyl-4-(3,4,5-trimethylpyrazol-1-yl)benzenecarbonitrile Openeye Name: 2-tert-butylsulfanyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)benzonitrile CAS Name: 2-(tert-butylthio)-5-fluoro-4-(3,4,5-trimethyl-1-pyrazolyl)benzonitrile IUPAC Name: 2-tert-butylsulfanyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)benzonitrile Traditional Name: 2-(tert-butylthio)-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)benzonitrile Formula: C17H20FN3S MolecularWeight: 317.424203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=C(C=C(C(=C2)SC(C)(C)C)C#N)F)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=C(C=C(C(=C2)SC(C)(C)C)C#N)F)C

InChI

InChI=1S/C17H20FN3S/c1-10-11(2)20-21(12(10)3)15-8-16(22-17(4,5)6)13(9-19)7-14(15)18/h7-8H,1-6H3