(3Z)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-N-methyl-5-(3-nitrophenyl)pyrazolidine-1-carbothioamide

Systemtic Name: (3Z)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-N-methyl-5-(3-nitrophenyl)pyrazolidine-1-carbothioamide Openeye Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-N-methyl-5-(3-nitrophenyl)pyrazolidine-1-carbothioamide CAS Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-N-methyl-5-(3-nitrophenyl)-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-N-methyl-5-(3-nitrophenyl)pyrazolidine-1-carbothioamide Traditional Name: (3Z)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-N-methyl-5-(3-nitrophenyl)pyrazolidine-1-carbothioamide Formula: C26H20BrN5O3S MolecularWeight: 562.4377

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(CC(=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)N1)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N1C(C/C(=C/2\C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)/N1)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20BrN5O3S/c1-28-26(36)31-22(16-8-5-9-18(12-16)32(34)35)14-21(30-31)24-23(15-6-3-2-4-7-15)19-13-17(27)10-11-20(19)29-25(24)33/h2-13,22,30H,14H2,1H3,(H,28,36)/b24-21-