4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(3-cyano-4,5-dimethyl-2-thienyl)iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(3-cyano-4,5-dimethyl-2-thiophenyl)iminomethyl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(3-cyano-4,5-dimethylthiophen-2-yl)iminomethyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(3-cyano-4,5-dimethyl-2-thienyl)iminomethyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C18H15N4OS- MolecularWeight: 335.4029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)N=CC2=C(N(N=C2C)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)N=CC2=C(N(N=C2C)C3=CC=CC=C3)[O-])C

InChI

InChI=1S/C18H16N4OS/c1-11-13(3)24-17(15(11)9-19)20-10-16-12(2)21-22(18(16)23)14-7-5-4-6-8-14/h4-8,10,23H,1-3H3/p-1