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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C21H17FN2O5S MolecularWeight: 428.433483

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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=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O5S/c1-28-15-6-9-19(29-2)17(12-15)23-21(25)13-3-10-20(18(11-13)24(26)27)30-16-7-4-14(22)5-8-16/h3-12H,1-2H3,(H,23,25)