4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-(4-nitrobenzyl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide Formula: C16H11BrN6O5S MolecularWeight: 479.26474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN6O5S/c17-13-9-21(8-10-1-3-11(4-2-10)22(25)26)20-15(13)16(24)19-18-7-12-5-6-14(29-12)23(27)28/h1-7,9H,8H2,(H,19,24)/b18-7+