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

Systemtic Name: 1-(2-hexylsulfanylpyrimidin-4-yl)benzimidazole Openeye Name: 1-(2-hexylsulfanylpyrimidin-4-yl)benzimidazole CAS Name: 1-[2-(hexylthio)-4-pyrimidinyl]benzimidazole IUPAC Name: 1-(2-hexylsulfanylpyrimidin-4-yl)benzimidazole Traditional Name: 1-[2-(hexylthio)pyrimidin-4-yl]benzimidazole Formula: C17H20N4S MolecularWeight: 312.4325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=CC(=N1)N2C=NC3=CC=CC=C32

Isomeric SMILES

CCCCCCSC1=NC=CC(=N1)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C17H20N4S/c1-2-3-4-7-12-22-17-18-11-10-16(20-17)21-13-19-14-8-5-6-9-15(14)21/h5-6,8-11,13H,2-4,7,12H2,1H3