N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]ethyl]-2-bromanyl-benzohydrazide

Systemtic Name: N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]ethyl]-2-bromanyl-benzohydrazide Openeye Name: N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-pyrazol-4-ylidene]ethyl]-2-bromo-benzohydrazide CAS Name: N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4-pyrazolylidene]ethyl]-2-bromobenzohydrazide IUPAC Name: N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propylpyrazol-4-ylidene]ethyl]-2-bromobenzohydrazide Traditional Name: N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]ethyl]-2-bromo-benzohydrazide Formula: C22H20BrN5O2S MolecularWeight: 498.3955

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NNC(=O)C2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NNC(=O)C2=CC=CC=C2Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20BrN5O2S/c1-3-8-17-19(13(2)25-26-20(29)14-9-4-5-10-15(14)23)21(30)28(27-17)22-24-16-11-6-7-12-18(16)31-22/h4-7,9-12,25H,3,8H2,1-2H3,(H,26,29)/b19-13-