2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]acetamide Formula: C21H20BrClN4OS MolecularWeight: 491.8317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N/N=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20BrClN4OS/c1-13-10-19(14(2)9-18(13)22)29-12-20(28)25-24-11-17-15(3)26-27(21(17)23)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,25,28)/b24-11+