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

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(2-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(E)-(2-nitrobenzylidene)amino]acetamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O3S/c1-11-8-16(12(2)7-14(11)18)25-10-17(22)20-19-9-13-5-3-4-6-15(13)21(23)24/h3-9H,10H2,1-2H3,(H,20,22)/b19-9+