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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2SC1C(=O)N3C=CC=N3

Isomeric SMILES

C1CC2=CC=CC=C2SC1C(=O)N3C=CC=N3

InChI

InChI=1S/C13H12N2OS/c16-13(15-9-3-8-14-15)12-7-6-10-4-1-2-5-11(10)17-12/h1-5,8-9,12H,6-7H2