N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanyl-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)thio]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)thio]-5-nitro-benzamide Formula: C20H13FN2O5S MolecularWeight: 412.391023

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

InChI

InChI=1S/C20H13FN2O5S/c21-15-3-1-2-4-19(15)29-18-8-6-13(23(25)26)10-14(18)20(24)22-12-5-7-16-17(9-12)28-11-27-16/h1-10H,11H2,(H,22,24)