2-[(3,5-dimethyl-4-phenylsulfanyl-pyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole

Systemtic Name: 2-[(3,5-dimethyl-4-phenylsulfanyl-pyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Openeye Name: 2-[(3,5-dimethyl-4-phenylsulfanyl-2-pyridyl)methylsulfinyl]-6-methoxy-1H-benzimidazole CAS Name: 2-[[3,5-dimethyl-4-(phenylthio)-2-pyridinyl]methylsulfinyl]-6-methoxy-1H-benzimidazole IUPAC Name: 2-[(3,5-dimethyl-4-phenylsulfanylpyridin-2-yl)methylsulfinyl]-6-methoxy-1H-benzimidazole Traditional Name: 2-[[3,5-dimethyl-4-(phenylthio)-2-pyridyl]methylsulfinyl]-6-methoxy-1H-benzimidazole Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1SC2=CC=CC=C2)C)CS(=O)C3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC1=CN=C(C(=C1SC2=CC=CC=C2)C)CS(=O)C3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C22H21N3O2S2/c1-14-12-23-20(15(2)21(14)28-17-7-5-4-6-8-17)13-29(26)22-24-18-10-9-16(27-3)11-19(18)25-22/h4-12H,13H2,1-3H3,(H,24,25)