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

Systemtic Name: N,N-diethyl-4-[(4-methylphenyl)methylsulfanyl]-3-nitro-benzamide Openeye Name: N,N-diethyl-3-nitro-4-(p-tolylmethylsulfanyl)benzamide CAS Name: N,N-diethyl-4-[(4-methylphenyl)methylthio]-3-nitrobenzamide IUPAC Name: N,N-diethyl-4-[(4-methylphenyl)methylsulfanyl]-3-nitrobenzamide Traditional Name: N,N-diethyl-4-[(4-methylbenzyl)thio]-3-nitro-benzamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O3S/c1-4-20(5-2)19(22)16-10-11-18(17(12-16)21(23)24)25-13-15-8-6-14(3)7-9-15/h6-12H,4-5,13H2,1-3H3