2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylsulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[(4-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylthio]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(4-hydroxy-3,5-dimethyl-benzyl)thio]-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CSCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CSCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-12-6-15(7-13(2)18(12)23)10-26-11-17(22)20-19-9-14-4-3-5-16(8-14)21(24)25/h3-9,23H,10-11H2,1-2H3,(H,20,22)/b19-9+