4-[(2-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-nitro-benzamide

Systemtic Name: 4-[(2-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-nitro-benzamide Openeye Name: 4-[(2-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-nitro-benzamide CAS Name: 4-[(2-chlorophenyl)methylthio]-N,N-diethyl-3-nitrobenzamide IUPAC Name: 4-[(2-chlorophenyl)methylsulfanyl]-N,N-diethyl-3-nitrobenzamide Traditional Name: 4-[(2-chlorobenzyl)thio]-N,N-diethyl-3-nitro-benzamide Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN2O3S/c1-3-20(4-2)18(22)13-9-10-17(16(11-13)21(23)24)25-12-14-7-5-6-8-15(14)19/h5-11H,3-4,12H2,1-2H3