5-chloranyl-2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]benzimidazole CAS Name: 5-chloro-2-[[(4S)-1,3-dioxan-4-yl]methylthio]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[[(4S)-1,3-dioxan-4-yl]methylthio]benzimidazole Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C1COCO[C@@H]1CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C19H19ClN2O2S/c20-15-6-7-18-17(10-15)21-19(25-12-16-8-9-23-13-24-16)22(18)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1