(2R)-1-[[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]amino]propan-2-ol

Systemtic Name: (2R)-1-[[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-phenyl]amino]propan-2-ol Openeye Name: (2R)-1-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-anilino]propan-2-ol CAS Name: (2R)-1-[3-(1H-benzimidazol-2-ylthio)-4-nitroanilino]-2-propanol IUPAC Name: (2R)-1-[3-(1H-benzimidazol-2-ylsulfanyl)-4-nitroanilino]propan-2-ol Traditional Name: (2R)-1-[3-(1H-benzimidazol-2-ylthio)-4-nitro-anilino]propan-2-ol Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

C[C@H](CNC1=CC(=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C16H16N4O3S/c1-10(21)9-17-11-6-7-14(20(22)23)15(8-11)24-16-18-12-4-2-3-5-13(12)19-16/h2-8,10,17,21H,9H2,1H3,(H,18,19)/t10-/m1/s1