4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl]morpholine

Systemtic Name: 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl]morpholine Openeye Name: 4-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl]morpholine CAS Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl]morpholine IUPAC Name: 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl]morpholine Traditional Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl]morpholine Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4CCOCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4CCOCC4

InChI

InChI=1S/C21H26N4OS2/c1-16-19(15-28-21-23-17-5-2-3-6-18(17)24-21)22-8-7-20(16)27-14-4-9-25-10-12-26-13-11-25/h2-3,5-8H,4,9-15H2,1H3,(H,23,24)