2-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-(2-hydroxyethyl)-5-nitro-2-benzimidazolyl]thio]-1-phenylethanone IUPAC Name: 2-[1-(2-hydroxyethyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(2-hydroxyethyl)-5-nitro-benzimidazol-2-yl]thio]-1-phenyl-ethanone Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CCO)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2CCO)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c21-9-8-19-15-7-6-13(20(23)24)10-14(15)18-17(19)25-11-16(22)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2