1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-2-thienylmethyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-4-nitro-N-[(E)-2-thenylideneamino]pyrazole-3-carboxamide Formula: C16H12BrN5O3S MolecularWeight: 434.26718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)/C=N/NC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC=C(C=C3)Br

InChI

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