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

Systemtic Name: (3Z)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(2-methoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide Openeye Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(2-methoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide CAS Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(2-methoxyphenyl)-N-methyl-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-methoxyphenyl)-N-methylpyrazolidine-1-carbothioamide Traditional Name: (3Z)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(2-methoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide Formula: C27H23BrN4O2S MolecularWeight: 547.46612

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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=C5OC

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=C5OC

InChI

InChI=1S/C27H23BrN4O2S/c1-29-27(35)32-22(18-10-6-7-11-23(18)34-2)15-21(31-32)25-24(16-8-4-3-5-9-16)19-14-17(28)12-13-20(19)30-26(25)33/h3-14,22,31H,15H2,1-2H3,(H,29,35)/b25-21-