(5'Z)-9-bromanyl-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one

Systemtic Name: (5'Z)-9-bromanyl-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one Openeye Name: (5'Z)-9-bromo-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylene]-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-thiazolidine]-2'-one CAS Name: (5'Z)-9-bromo-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenyl-2'-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-thiazolidine]one IUPAC Name: (5'Z)-9-bromo-5'-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one Traditional Name: (5'Z)-9-bromo-5'-[4-(3,5-diphenyl-2-pyrazolin-1-yl)benzylidene]-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-thiazolidine]-2'-one Formula: C40H30BrN5O2S MolecularWeight: 724.6675

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C=C4C5(NC(=O)S4)N6C(CC(=N6)C7=CC=CC=C7)C8=C(O5)C=CC(=C8)Br)C9=CC=CC=C9

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)/C=C\4/C5(NC(=O)S4)N6C(CC(=N6)C7=CC=CC=C7)C8=C(O5)C=CC(=C8)Br)C9=CC=CC=C9

InChI

InChI=1S/C40H30BrN5O2S/c41-30-18-21-37-32(23-30)36-25-34(28-12-6-2-7-13-28)44-46(36)40(48-37)38(49-39(47)42-40)22-26-16-19-31(20-17-26)45-35(29-14-8-3-9-15-29)24-33(43-45)27-10-4-1-5-11-27/h1-23,35-36H,24-25H2,(H,42,47)/b38-22-