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

Systemtic Name: (3Z)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-methoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide Openeye Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(4-methoxyphenyl)-N-methyl-pyrazolidine-1-carbothioamide CAS Name: (3Z)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-methoxyphenyl)-N-methyl-1-pyrazolidinecarbothioamide IUPAC Name: (3Z)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-methoxyphenyl)-N-methylpyrazolidine-1-carbothioamide Traditional Name: (3Z)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(4-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=C(C=C5)OC

Isomeric SMILES

CNC(=S)N1C(C/C(=C/2\C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)/N1)C5=CC=C(C=C5)OC

InChI

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