N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-methyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

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