5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]furan-2-carbohydrazide

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]furan-2-carbohydrazide Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]furan-2-carbohydrazide CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-N'-[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]-2-furancarbohydrazide IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanoyl]furan-2-carbohydrazide Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-N'-[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)propanoyl]-2-furohydrazide Formula: C20H17BrN6O5S2 MolecularWeight: 565.42018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NNC(=O)C2=CC=C(O2)CSC3=NC4=CC=CC=C4S3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NNC(=O)C2=CC=C(O2)CSC3=NC4=CC=CC=C4S3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H17BrN6O5S2/c1-10-16(21)17(27(30)31)25-26(10)11(2)18(28)23-24-19(29)14-8-7-12(32-14)9-33-20-22-13-5-3-4-6-15(13)34-20/h3-8,11H,9H2,1-2H3,(H,23,28)(H,24,29)