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

Systemtic Name: 1-[[1-(phenylmethyl)-3,4-dihydroisothiochromen-1-yl]methyl]imidazole Openeye Name: 1-[(1-benzylisothiochroman-1-yl)methyl]imidazole CAS Name: 1-[[1-(phenylmethyl)-3,4-dihydro-2-benzothiopyran-1-yl]methyl]imidazole IUPAC Name: 1-[(1-benzyl-3,4-dihydroisothiochromen-1-yl)methyl]imidazole Traditional Name: 1-[(1-benzylisothiochroman-1-yl)methyl]imidazole Formula: C20H20N2S MolecularWeight: 320.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C2=CC=CC=C21)(CC3=CC=CC=C3)CN4C=CN=C4

Isomeric SMILES

C1CSC(C2=CC=CC=C21)(CC3=CC=CC=C3)CN4C=CN=C4

InChI

InChI=1S/C20H20N2S/c1-2-6-17(7-3-1)14-20(15-22-12-11-21-16-22)19-9-5-4-8-18(19)10-13-23-20/h1-9,11-12,16H,10,13-15H2