2-[(S)-(3-fluorophenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile

Systemtic Name: 2-[(S)-(3-fluorophenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(S)-(3-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(S)-(3-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(S)-(3-fluorophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(S)-(3-fluorophenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C14H11FN4O MolecularWeight: 270.261743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=CC=C2)F)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC(=CC=C2)F)C(C#N)C#N

InChI

InChI=1S/C14H11FN4O/c1-8-12(14(20)19-18-8)13(10(6-16)7-17)9-3-2-4-11(15)5-9/h2-5,10,13H,1H3,(H2,18,19,20)/t13-/m1/s1