2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-ethoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethoxy-3-nitrophenyl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-ethoxy-3-nitro-phenyl)ethanone Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-2-24-16-8-7-11(9-14(16)20(22)23)15(21)10-25-17-18-12-5-3-4-6-13(12)19-17/h3-9H,2,10H2,1H3,(H,18,19)