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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C17H16Cl2N2O4S MolecularWeight: 415.29094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSCC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSCC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16Cl2N2O4S/c1-25-12-3-5-15(16(9-12)21(23)24)20-17(22)6-7-26-10-11-2-4-13(18)14(19)8-11/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)