N-(4-methoxyphenyl)-4-nitro-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-nitro-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-N-(4-methoxyphenyl)-4-nitro-benzamide CAS Name: N-(4-methoxyphenyl)-4-nitro-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-N-(4-methoxyphenyl)-4-nitrobenzamide Traditional Name: 2-(benzylthio)-N-(4-methoxyphenyl)-4-nitro-benzamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-27-18-10-7-16(8-11-18)22-21(24)19-12-9-17(23(25)26)13-20(19)28-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,22,24)