N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]-4-nitro-1H-pyrrole-2-carbohydrazide

Systemtic Name: N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl]-4-nitro-1H-pyrrole-2-carbohydrazide Openeye Name: N'-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]-4-nitro-1H-pyrrole-2-carbohydrazide CAS Name: N'-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]-4-nitro-1H-pyrrole-2-carbohydrazide IUPAC Name: N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-4-nitro-1H-pyrrole-2-carbohydrazide Traditional Name: N'-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]-4-nitro-1H-pyrrole-2-carbohydrazide Formula: C13H15N5O5S MolecularWeight: 353.3537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NNC(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NNC(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S/c1-7-10(8(2)23-17-7)5-24-6-12(19)15-16-13(20)11-3-9(4-14-11)18(21)22/h3-4,14H,5-6H2,1-2H3,(H,15,19)(H,16,20)