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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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