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4-(3,4-dihydro-2H-thiochromen-6-ylcarbonyl)-1,2-dihydropyrazol-3-one

4-(3,4-dihydro-2H-thiochromen-6-ylcarbonyl)-1,2-dihydropyrazol-3-one

Systemtic Name:4-(3,4-dihydro-2H-thiochromen-6-ylcarbonyl)-1,2-dihydropyrazol-3-one
Openeye Name:4-(thiochromane-6-carbonyl)-1,2-dihydropyrazol-3-one
CAS Name:4-[3,4-dihydro-2H-1-benzothiopyran-6-yl(oxo)methyl]-1,2-dihydropyrazol-3-one
IUPAC Name:4-(3,4-dihydro-2H-thiochromene-6-carbonyl)-1,2-dihydropyrazol-3-one
Traditional Name:4-(thiochroman-6-carbonyl)-3-pyrazolin-3-one
Formula: C13H12N2O2S
MolecularWeight: 260.31158
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)C3=CNNC3=O)SC1


Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)C3=CNNC3=O)SC1


InChI

InChI=1S/C13H12N2O2S/c16-12(10-7-14-15-13(10)17)9-3-4-11-8(6-9)2-1-5-18-11/h3-4,6-7H,1-2,5H2,(H2,14,15,17)


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