N-(1,3-benzodioxol-5-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-nitrophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-nitrophenyl)imidazol-2-yl]thio]acetamide Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c23-17(20-12-1-6-15-16(9-12)27-11-26-15)10-28-18-19-7-8-21(18)13-2-4-14(5-3-13)22(24)25/h1-9H,10-11H2,(H,20,23)