1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzimidazole

Systemtic Name: 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzimidazole Openeye Name: 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzimidazole CAS Name: 1-[5-nitro-6-(phenylthio)-4-pyrimidinyl]benzimidazole IUPAC Name: 1-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzimidazole Traditional Name: 1-[5-nitro-6-(phenylthio)pyrimidin-4-yl]benzimidazole Formula: C17H11N5O2S MolecularWeight: 349.36654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C17H11N5O2S/c23-22(24)15-16(21-11-20-13-8-4-5-9-14(13)21)18-10-19-17(15)25-12-6-2-1-3-7-12/h1-11H