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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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