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

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C20H13N4OS- MolecularWeight: 357.40842

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4OS/c1-13-16(20(25)24(23-13)15-7-3-2-4-8-15)11-14(12-21)19-22-17-9-5-6-10-18(17)26-19/h2-11,25H,1H3/p-1/b14-11+