2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1-methylsulfonyl-benzimidazole

Systemtic Name: 2-[[4-(furan-2-ylmethylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1-methylsulfonyl-benzimidazole Openeye Name: 2-[[4-(2-furylmethylsulfanyl)-3-methyl-2-pyridyl]methylsulfanyl]-1-methylsulfonyl-benzimidazole CAS Name: 2-[[4-(2-furanylmethylthio)-3-methyl-2-pyridinyl]methylthio]-1-methylsulfonylbenzimidazole IUPAC Name: 2-[[4-(furan-2-ylmethylsulfanyl)-3-methylpyridin-2-yl]methylsulfanyl]-1-methylsulfonylbenzimidazole Traditional Name: 2-[[4-(2-furfurylthio)-3-methyl-2-pyridyl]methylthio]-1-mesyl-benzimidazole Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2S(=O)(=O)C)SCC4=CC=CO4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2S(=O)(=O)C)SCC4=CC=CO4

InChI

InChI=1S/C20H19N3O3S3/c1-14-17(21-10-9-19(14)27-12-15-6-5-11-26-15)13-28-20-22-16-7-3-4-8-18(16)23(20)29(2,24)25/h3-11H,12-13H2,1-2H3