4'-(4-methylphenyl)spiro[2H-thiochromene-3,5'-3,4-dihydropyrazole]-4-one

Systemtic Name: 4'-(4-methylphenyl)spiro[2H-thiochromene-3,5'-3,4-dihydropyrazole]-4-one Openeye Name: 4-(p-tolyl)spiro[3,4-dihydropyrazole-5,3'-thiochromane]-4'-one CAS Name: 4'-(4-methylphenyl)-4-spiro[2H-1-benzothiopyran-3,5'-3,4-dihydropyrazole]one IUPAC Name: 4'-(4-methylphenyl)spiro[2H-thiochromene-3,5'-3,4-dihydropyrazole]-4-one Traditional Name: 4-(p-tolyl)spiro[1-pyrazoline-3,3'-thiochroman]-4'-one Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN=NC23CSC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2CN=NC23CSC4=CC=CC=C4C3=O

InChI

InChI=1S/C18H16N2OS/c1-12-6-8-13(9-7-12)15-10-19-20-18(15)11-22-16-5-3-2-4-14(16)17(18)21/h2-9,15H,10-11H2,1H3