4-bromanyl-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]-1H-pyrrole-2-carbohydrazide

Systemtic Name: 4-bromanyl-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]-1H-pyrrole-2-carbohydrazide Openeye Name: 4-bromo-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]-1H-pyrrole-2-carbohydrazide CAS Name: 4-bromo-N'-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-1H-pyrrole-2-carbohydrazide IUPAC Name: 4-bromo-N'-[2-(4-nitrophenyl)sulfanylpropanoyl]-1H-pyrrole-2-carbohydrazide Traditional Name: 4-bromo-N'-[2-[(4-nitrophenyl)thio]propanoyl]-1H-pyrrole-2-carbohydrazide Formula: C14H13BrN4O4S MolecularWeight: 413.24642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC(=CN1)Br)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=O)C1=CC(=CN1)Br)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN4O4S/c1-8(24-11-4-2-10(3-5-11)19(22)23)13(20)17-18-14(21)12-6-9(15)7-16-12/h2-8,16H,1H3,(H,17,20)(H,18,21)