N-(2-methyl-5-nitro-phenyl)-3-methylsulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-methylsulfanyl-propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-methylsulfanyl-propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-(methylthio)propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-methylsulfanylpropanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-(methylthio)propionamide Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC

InChI

InChI=1S/C11H14N2O3S/c1-8-3-4-9(13(15)16)7-10(8)12-11(14)5-6-17-2/h3-4,7H,5-6H2,1-2H3,(H,12,14)