1-(2-hexylsulfanylpyrimidin-4-yl)-5-iodanyl-benzimidazole

Systemtic Name: 1-(2-hexylsulfanylpyrimidin-4-yl)-5-iodanyl-benzimidazole Openeye Name: 1-(2-hexylsulfanylpyrimidin-4-yl)-5-iodo-benzimidazole CAS Name: 1-[2-(hexylthio)-4-pyrimidinyl]-5-iodobenzimidazole IUPAC Name: 1-(2-hexylsulfanylpyrimidin-4-yl)-5-iodobenzimidazole Traditional Name: 1-[2-(hexylthio)pyrimidin-4-yl]-5-iodo-benzimidazole Formula: C17H19IN4S MolecularWeight: 438.32903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=CC(=N1)N2C=NC3=C2C=CC(=C3)I

Isomeric SMILES

CCCCCCSC1=NC=CC(=N1)N2C=NC3=C2C=CC(=C3)I

InChI

InChI=1S/C17H19IN4S/c1-2-3-4-5-10-23-17-19-9-8-16(21-17)22-12-20-14-11-13(18)6-7-15(14)22/h6-9,11-12H,2-5,10H2,1H3