N-(1,3-benzodioxol-5-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S/c18-13(7-23-14-4-2-10(6-15-14)17(19)20)16-9-1-3-11-12(5-9)22-8-21-11/h1-6H,7-8H2,(H,16,18)