1-[[6-chloranyl-1-(phenylmethyl)-3,4-dihydroisothiochromen-1-yl]methyl]imidazole

Systemtic Name: 1-[[6-chloranyl-1-(phenylmethyl)-3,4-dihydroisothiochromen-1-yl]methyl]imidazole Openeye Name: 1-[(1-benzyl-6-chloro-isothiochroman-1-yl)methyl]imidazole CAS Name: 1-[[6-chloro-1-(phenylmethyl)-3,4-dihydro-2-benzothiopyran-1-yl]methyl]imidazole IUPAC Name: 1-[(1-benzyl-6-chloro-3,4-dihydroisothiochromen-1-yl)methyl]imidazole Traditional Name: 1-[(1-benzyl-6-chloro-isothiochroman-1-yl)methyl]imidazole Formula: C20H19ClN2S MolecularWeight: 354.89626

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C2=C1C=C(C=C2)Cl)(CC3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

C1CSC(C2=C1C=C(C=C2)Cl)(CC3=CC=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C20H19ClN2S/c21-18-6-7-19-17(12-18)8-11-24-20(19,14-23-10-9-22-15-23)13-16-4-2-1-3-5-16/h1-7,9-10,12,15H,8,11,13-14H2