2-[(4-bromophenyl)amino]-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]ethanamide

Systemtic Name: 2-[(4-bromophenyl)amino]-N-[(E)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]ethanamide Openeye Name: 2-(4-bromoanilino)-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-(4-bromoanilino)-N-[(E)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(4-bromoanilino)-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-(4-bromoanilino)-N-[(E)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC(=O)CNC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=N/NC(=O)CNC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN5OS/c23-17-8-10-18(11-9-17)24-14-21(29)26-25-13-16-15-28(19-5-2-1-3-6-19)27-22(16)20-7-4-12-30-20/h1-13,15,24H,14H2,(H,26,29)/b25-13+