3-(4-nitrophenyl)-5-oxidanylidene-4-[[2,4,6-tris(bromanyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide

Systemtic Name: 3-(4-nitrophenyl)-5-oxidanylidene-4-[[2,4,6-tris(bromanyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide Openeye Name: 3-(4-nitrophenyl)-5-oxo-4-[(2,4,6-tribromophenyl)hydrazono]pyrazole-1-carbothioamide CAS Name: 3-(4-nitrophenyl)-5-oxo-4-[(2,4,6-tribromophenyl)hydrazinylidene]-1-pyrazolecarbothioamide IUPAC Name: 3-(4-nitrophenyl)-5-oxo-4-[(2,4,6-tribromophenyl)hydrazinylidene]pyrazole-1-carbothioamide Traditional Name: 5-keto-3-(4-nitrophenyl)-4-[(2,4,6-tribromophenyl)hydrazono]-2-pyrazoline-1-carbothioamide Formula: C16H9Br3N6O3S MolecularWeight: 605.05806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=C(C=C(C=C3Br)Br)Br)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=O)C2=NNC3=C(C=C(C=C3Br)Br)Br)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C16H9Br3N6O3S/c17-8-5-10(18)13(11(19)6-8)21-22-14-12(23-24(15(14)26)16(20)29)7-1-3-9(4-2-7)25(27)28/h1-6,21H,(H2,20,29)