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

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[(3-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(=CC=C2)Cl

Isomeric SMILES

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

InChI

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