2-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-bromanylpyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(4-bromo-1-pyrazolyl)methylthio]-4-phenyl-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-bromopyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-bromopyrazol-1-yl)methylthio]-4-phenyl-6-(trifluoromethyl)nicotinonitrile Formula: C17H10BrF3N4S MolecularWeight: 439.25231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCN3C=C(C=N3)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCN3C=C(C=N3)Br)C(F)(F)F

InChI

InChI=1S/C17H10BrF3N4S/c18-12-8-23-25(9-12)10-26-16-14(7-22)13(11-4-2-1-3-5-11)6-15(24-16)17(19,20)21/h1-6,8-9H,10H2