4'-naphthalen-2-yl-2-phenyl-spiro[2H-thiochromene-3,5'-3,4-dihydropyrazole]-4-one

Systemtic Name: 4'-naphthalen-2-yl-2-phenyl-spiro[2H-thiochromene-3,5'-3,4-dihydropyrazole]-4-one Openeye Name: 4-(2-naphthyl)-2'-phenyl-spiro[3,4-dihydropyrazole-5,3'-thiochromane]-4'-one CAS Name: 4'-(2-naphthalenyl)-2-phenyl-4-spiro[2H-1-benzothiopyran-3,5'-3,4-dihydropyrazole]one IUPAC Name: 4'-naphthalen-2-yl-2-phenylspiro[2H-thiochromene-3,5'-3,4-dihydropyrazole]-4-one Traditional Name: 4-(2-naphthyl)-2'-phenyl-spiro[1-pyrazoline-3,3'-thiochroman]-4'-one Formula: C27H20N2OS MolecularWeight: 420.5255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2(C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4)N=N1)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1C(C2(C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4)N=N1)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C27H20N2OS/c30-25-22-12-6-7-13-24(22)31-26(19-9-2-1-3-10-19)27(25)23(17-28-29-27)21-15-14-18-8-4-5-11-20(18)16-21/h1-16,23,26H,17H2