2-[(4-ethylsulfanyl-3-propyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: 2-[(4-ethylsulfanyl-3-propyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: 2-[(4-ethylsulfanyl-3-propyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: 2-[[4-(ethylthio)-3-propyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: 2-[(4-ethylsulfanyl-3-propylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: 2-[[4-(ethylthio)-3-propyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole Formula: C18H21N3OS2 MolecularWeight: 359.50884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)SCC

Isomeric SMILES

CCCC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)SCC

InChI

InChI=1S/C18H21N3OS2/c1-3-7-13-16(19-11-10-17(13)23-4-2)12-24(22)18-20-14-8-5-6-9-15(14)21-18/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,20,21)