[4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C23H17BrN2O4S MolecularWeight: 497.36108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H17BrN2O4S/c1-14-18(22(27)26(25-14)17-8-6-16(24)7-9-17)12-15-5-10-19(20(13-15)29-2)30-23(28)21-4-3-11-31-21/h3-13H,1-2H3/b18-12+