2-bromanyl-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]benzamide

Systemtic Name: 2-bromanyl-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]benzamide Openeye Name: 2-bromo-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzamide CAS Name: 2-bromo-N-[(E)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]benzamide IUPAC Name: 2-bromo-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide Traditional Name: 2-bromo-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]benzamide Formula: C21H15BrN4OS MolecularWeight: 451.339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=N/NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H15BrN4OS/c22-18-10-5-4-9-17(18)21(27)24-23-13-15-14-26(16-7-2-1-3-8-16)25-20(15)19-11-6-12-28-19/h1-14H,(H,24,27)/b23-13+