2-[[3-methoxy-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methoxy-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methoxy-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methoxy-4-[3-(2-pyrimidinylthio)propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methoxy-4-(3-pyrimidin-2-ylsulfanylpropylsulfanyl)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methoxy-4-[3-(2-pyrimidylthio)propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C21H21N5OS3 MolecularWeight: 455.61934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=CC=N4

Isomeric SMILES

COC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSC4=NC=CC=N4

InChI

InChI=1S/C21H21N5OS3/c1-27-19-17(14-30-21-25-15-6-2-3-7-16(15)26-21)22-11-8-18(19)28-12-5-13-29-20-23-9-4-10-24-20/h2-4,6-11H,5,12-14H2,1H3,(H,25,26)