2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(E)-(5-nitro-2-furanyl)methylideneamino]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide Formula: C15H14BrN3O4S MolecularWeight: 412.25836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrN3O4S/c1-9-6-13(10(2)5-12(9)16)24-8-14(20)18-17-7-11-3-4-15(23-11)19(21)22/h3-7H,8H2,1-2H3,(H,18,20)/b17-7+