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

Systemtic Name: 2-[[3-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-[(4-ethylsulfanyl-3-methyl-2-pyridyl)methyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-[[4-(ethylthio)-3-methyl-2-pyridinyl]methyl]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-[(4-ethylsulfanyl-3-methylpyridin-2-yl)methyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-[[4-(ethylthio)-3-methyl-2-pyridyl]methyl]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C22H22N4S2 MolecularWeight: 406.56688

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NC=C1)CC2=C(N=CC=C2)CSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCSC1=C(C(=NC=C1)CC2=C(N=CC=C2)CSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H22N4S2/c1-3-27-21-10-12-24-19(15(21)2)13-16-7-6-11-23-20(16)14-28-22-25-17-8-4-5-9-18(17)26-22/h4-12H,3,13-14H2,1-2H3,(H,25,26)