2-[[4-(3-imidazol-1-ylpropylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(3-imidazol-1-ylpropylsulfanyl)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[4-(3-imidazol-1-ylpropylsulfanyl)-3-methyl-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[4-[3-(1-imidazolyl)propylthio]-3-methyl-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[4-(3-imidazol-1-ylpropylsulfanyl)-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[4-(3-imidazol-1-ylpropylthio)-3-methyl-2-pyridyl]methylthio]-1H-benzimidazole Formula: C20H21N5S2 MolecularWeight: 395.54424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4C=CN=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4C=CN=C4

InChI

InChI=1S/C20H21N5S2/c1-15-18(13-27-20-23-16-5-2-3-6-17(16)24-20)22-8-7-19(15)26-12-4-10-25-11-9-21-14-25/h2-3,5-9,11,14H,4,10,12-13H2,1H3,(H,23,24)