3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C17H16Cl2N2O3S MolecularWeight: 399.29154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O3S/c1-11-2-4-13(21(23)24)9-16(11)20-17(22)6-7-25-10-12-3-5-14(18)15(19)8-12/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)