N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanyl-ethanamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-phenylsulfanyl-acetamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(phenylthio)acetamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(phenylthio)acetamide Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c20-16(9-25-12-4-2-1-3-5-12)18-17-8-11-6-14-15(24-10-23-14)7-13(11)19(21)22/h1-8H,9-10H2,(H,18,20)/b17-8+