2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: N-(3-nitrophenyl)-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=CN=C3SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=CN=C3SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5S/c24-18(21-14-2-1-3-15(9-14)23(25)26)11-29-19-20-6-7-22(19)10-13-4-5-16-17(8-13)28-12-27-16/h1-9H,10-12H2,(H,21,24)