2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-methoxy-2-nitro-5-oxidanyl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(4-methoxy-2-nitro-5-oxidanyl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-hydroxy-4-methoxy-2-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[(E)-(5-hydroxy-4-methoxy-2-nitro-benzylidene)amino]acetamide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])C=NNC(=O)CSC2=NC3=CC=CC=C3N2)O

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C17H15N5O5S/c1-27-15-7-13(22(25)26)10(6-14(15)23)8-18-21-16(24)9-28-17-19-11-4-2-3-5-12(11)20-17/h2-8,23H,9H2,1H3,(H,19,20)(H,21,24)/b18-8+