4-azanylidene-3-cyano-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-fluorophenyl)-5-sulfanylidene-pyrrolidine-3-carbothioamide

Systemtic Name: 4-azanylidene-3-cyano-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-fluorophenyl)-5-sulfanylidene-pyrrolidine-3-carbothioamide Openeye Name: 3-cyano-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-fluorophenyl)-4-imino-5-thioxo-pyrrolidine-3-carbothioamide CAS Name: 3-cyano-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-fluorophenyl)-4-imino-5-sulfanylidene-3-pyrrolidinecarbothioamide IUPAC Name: 3-cyano-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-fluorophenyl)-4-imino-5-sulfanylidenepyrrolidine-3-carbothioamide Traditional Name: 3-cyano-2-(4-fluorophenyl)-4-imino-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-thioxo-pyrrolidine-3-carbothioamide Formula: C23H19FN6OS2 MolecularWeight: 478.564963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C(=N)C3=S)(C#N)C(=S)N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C(=N)C3=S)(C#N)C(=S)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H19FN6OS2/c1-13-17(20(31)30(28(13)2)16-6-4-3-5-7-16)29-19(14-8-10-15(24)11-9-14)23(12-25,22(27)33)18(26)21(29)32/h3-11,19,26H,1-2H3,(H2,27,33)