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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[(4-chlorophenyl)methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-chlorobenzyl)-4-(methylthio)-3-nitro-benzamide Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O3S/c1-22-14-7-4-11(8-13(14)18(20)21)15(19)17-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,19)