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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC=C3C(=NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC=C3C(=NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H20BrN3O3S/c1-3-31-24(30)21-20(16-9-11-17(25)12-10-16)14-32-22(21)26-13-19-15(2)27-28(23(19)29)18-7-5-4-6-8-18/h4-14,26H,3H2,1-2H3