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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=CC(=C3)NCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=CC(=C3)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c21-9-3-8-17-11-6-7-14(20(22)23)15(10-11)24-16-18-12-4-1-2-5-13(12)19-16/h1-2,4-7,10,17,21H,3,8-9H2,(H,18,19)