N-(2,5-dimethoxyphenyl)-3-nitro-4-phenylsulfanyl-benzamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-(2,5-dimethoxyphenyl)-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-(2,5-dimethoxyphenyl)-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-(2,5-dimethoxyphenyl)-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-(2,5-dimethoxyphenyl)-3-nitro-4-(phenylthio)benzamide Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-27-15-9-10-19(28-2)17(13-15)22-21(24)14-8-11-20(18(12-14)23(25)26)29-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,24)