3-(1H-imidazol-5-ylmethyl)-2,3-dihydrothiochromen-4-one

Systemtic Name: 3-(1H-imidazol-5-ylmethyl)-2,3-dihydrothiochromen-4-one Openeye Name: 3-(1H-imidazol-5-ylmethyl)thiochroman-4-one CAS Name: 3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 3-(1H-imidazol-5-ylmethyl)-2,3-dihydrothiochromen-4-one Traditional Name: 3-(1H-imidazol-5-ylmethyl)thiochroman-4-one Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C2S1)CC3=CN=CN3

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C2S1)CC3=CN=CN3

InChI

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