1',3',4'-triphenylspiro[1H-isothiochromene-3,5'-4H-pyrazole]-4-one

Systemtic Name: 1',3',4'-triphenylspiro[1H-isothiochromene-3,5'-4H-pyrazole]-4-one Openeye Name: 1,3,4-triphenylspiro[4H-pyrazole-5,3'-isothiochromane]-4'-one CAS Name: 1',3',4'-triphenyl-4-spiro[1H-2-benzothiopyran-3,5'-4H-pyrazole]one IUPAC Name: 1',3',4'-triphenylspiro[1H-isothiochromene-3,5'-4H-pyrazole]-4-one Traditional Name: 1,3,4-triphenylspiro[2-pyrazoline-5,3'-isothiochroman]-4'-one Formula: C29H22N2OS MolecularWeight: 446.56278

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3(S1)C(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3(S1)C(C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H22N2OS/c32-28-25-19-11-10-16-23(25)20-33-29(28)26(21-12-4-1-5-13-21)27(22-14-6-2-7-15-22)30-31(29)24-17-8-3-9-18-24/h1-19,26H,20H2