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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]pyrazole-3-carboxamide Formula: C16H12BrN5O3S MolecularWeight: 434.26718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN5O3S/c17-12-3-1-11(2-4-12)10-21-8-7-14(20-21)16(23)19-18-9-13-5-6-15(26-13)22(24)25/h1-9H,10H2,(H,19,23)/b18-9+