4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-(4-fluorophenyl)-5-methyl-3-pyrazololate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-(4-fluorophenyl)-5-methylpyrazol-3-olate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-olate Formula: C20H12FN4OS- MolecularWeight: 375.398883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3S2)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3S2)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C20H13FN4OS/c1-12-16(20(26)25(24-12)15-8-6-14(21)7-9-15)10-13(11-22)19-23-17-4-2-3-5-18(17)27-19/h2-10,26H,1H3/p-1/b13-10+