1'-methyl-3'-(5-nitrofuran-2-yl)-4'-phenyl-spiro[2H-thiochromene-3,5'-4H-pyrazole]-4-one

Systemtic Name: 1'-methyl-3'-(5-nitrofuran-2-yl)-4'-phenyl-spiro[2H-thiochromene-3,5'-4H-pyrazole]-4-one Openeye Name: 1-methyl-3-(5-nitro-2-furyl)-4-phenyl-spiro[4H-pyrazole-5,3'-thiochromane]-4'-one CAS Name: 1'-methyl-3'-(5-nitro-2-furanyl)-4'-phenyl-4-spiro[2H-1-benzothiopyran-3,5'-4H-pyrazole]one IUPAC Name: 1'-methyl-3'-(5-nitrofuran-2-yl)-4'-phenylspiro[2H-thiochromene-3,5'-4H-pyrazole]-4-one Traditional Name: 1-methyl-3-(5-nitro-2-furyl)-4-phenyl-spiro[2-pyrazoline-5,3'-thiochroman]-4'-one Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2(CSC3=CC=CC=C3C2=O)C(C(=N1)C4=CC=C(O4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN1C2(CSC3=CC=CC=C3C2=O)C(C(=N1)C4=CC=C(O4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O4S/c1-24-22(13-30-17-10-6-5-9-15(17)21(22)26)19(14-7-3-2-4-8-14)20(23-24)16-11-12-18(29-16)25(27)28/h2-12,19H,13H2,1H3