5-azanyl-1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[2-(4-fluorophenyl)-2-oxo-ethyl]-3-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2-(4-fluorophenyl)-2-keto-ethyl]-3-(methylthio)pyrazole-4-carbonitrile Formula: C13H11FN4OS MolecularWeight: 290.316043

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N)CC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CSC1=NN(C(=C1C#N)N)CC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H11FN4OS/c1-20-13-10(6-15)12(16)18(17-13)7-11(19)8-2-4-9(14)5-3-8/h2-5H,7,16H2,1H3