5-fluoranyl-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carbonitrile

Systemtic Name: 5-fluoranyl-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-fluoro-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-fluoro-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-benzylsulfanyl-5-fluoro-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-fluoro-1-phenyl-pyrazole-4-carbonitrile Formula: C17H12FN3S MolecularWeight: 309.360683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)F)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)F)C3=CC=CC=C3

InChI

InChI=1S/C17H12FN3S/c18-16-15(11-19)17(22-12-13-7-3-1-4-8-13)20-21(16)14-9-5-2-6-10-14/h1-10H,12H2