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

Systemtic Name: 3,4-dihydro-2H-thiochromen-6-yl(1H-pyrazol-4-yl)methanone Openeye Name: 1H-pyrazol-4-yl(thiochroman-6-yl)methanone CAS Name: 3,4-dihydro-2H-1-benzothiopyran-6-yl(1H-pyrazol-4-yl)methanone IUPAC Name: 3,4-dihydro-2H-thiochromen-6-yl(1H-pyrazol-4-yl)methanone Traditional Name: 1H-pyrazol-4-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)C3=CNN=C3)SC1

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2OS/c16-13(11-7-14-15-8-11)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8H,1-2,5H2,(H,14,15)