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

Systemtic Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-olate Openeye Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-olate CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-(3,4-dimethylphenyl)-5-methyl-3-pyrazololate IUPAC Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-olate Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-olate Formula: C22H17N4OS- MolecularWeight: 385.46158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C=C(C#N)C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C22H18N4OS/c1-13-8-9-17(10-14(13)2)26-22(27)18(15(3)25-26)11-16(12-23)21-24-19-6-4-5-7-20(19)28-21/h4-11,27H,1-3H3/p-1/b16-11+