[4-[(Z)-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(Z)-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(Z)-(5-oxo-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(Z)-(5-oxo-1,3-diphenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(Z)-(5-keto-1,3-diphenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C27H18N2O3S MolecularWeight: 450.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=C(C=C3)OC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C\C3=CC=C(C=C3)OC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H18N2O3S/c30-26-23(18-19-13-15-22(16-14-19)32-27(31)24-12-7-17-33-24)25(20-8-3-1-4-9-20)28-29(26)21-10-5-2-6-11-21/h1-18H/b23-18-