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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-2-methyl-3-nitro-benzamide Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3S/c1-12-15(3-2-4-16(12)20(22)23)17(21)19-9-10-24-11-13-5-7-14(18)8-6-13/h2-8H,9-11H2,1H3,(H,19,21)