4-[1-ethyl-2-[(3-methylphenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(3-methylphenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-(m-tolylmethylsulfanyl)benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(3-methylphenyl)methylthio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(3-methylphenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(3-methylbenzyl)thio]benzimidazol-5-yl]sulfonylmorpholine Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=CC(=C4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=CC(=C4)C

InChI

InChI=1S/C21H25N3O3S2/c1-3-24-20-8-7-18(29(25,26)23-9-11-27-12-10-23)14-19(20)22-21(24)28-15-17-6-4-5-16(2)13-17/h4-8,13-14H,3,9-12,15H2,1-2H3