3,4-dihydro-2H-thiochromen-6-yl(pyrazol-1-yl)methanone

Systemtic Name: 3,4-dihydro-2H-thiochromen-6-yl(pyrazol-1-yl)methanone Openeye Name: pyrazol-1-yl(thiochroman-6-yl)methanone CAS Name: 3,4-dihydro-2H-1-benzothiopyran-6-yl(1-pyrazolyl)methanone IUPAC Name: 3,4-dihydro-2H-thiochromen-6-yl(pyrazol-1-yl)methanone Traditional Name: pyrazol-1-yl(thiochroman-6-yl)methanone Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)N3C=CC=N3)SC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)N3C=CC=N3)SC1

InChI

InChI=1S/C13H12N2OS/c16-13(15-7-2-6-14-15)11-4-5-12-10(9-11)3-1-8-17-12/h2,4-7,9H,1,3,8H2