2-(3,4-dimethylphenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]acetamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(2-hydroxy-5-nitro-benzyl)acetamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C17H18N2O4S/c1-11-3-5-15(7-12(11)2)24-10-17(21)18-9-13-8-14(19(22)23)4-6-16(13)20/h3-8,20H,9-10H2,1-2H3,(H,18,21)