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

Systemtic Name: 2-[[3-methyl-4-(1-phenylsulfanylethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-(1-phenylsulfanylethoxy)-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[1-(phenylthio)ethoxy]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-(1-phenylsulfanylethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[1-(phenylthio)ethoxy]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OC(C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OC(C)SC4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS2/c1-15-20(14-27-22-24-18-10-6-7-11-19(18)25-22)23-13-12-21(15)26-16(2)28-17-8-4-3-5-9-17/h3-13,16H,14H2,1-2H3,(H,24,25)