2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-1-pyridin-4-ylethylideneamino]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-1-pyridin-4-ylethylideneamino]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(E)-1-(4-pyridyl)ethylideneamino]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[(E)-1-(4-pyridyl)ethylideneamino]acetamide Formula: C17H18BrN3OS MolecularWeight: 392.31332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NN=C(C)C2=CC=NC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N/N=C(\C)/C2=CC=NC=C2

InChI

InChI=1S/C17H18BrN3OS/c1-11-9-16(12(2)8-15(11)18)23-10-17(22)21-20-13(3)14-4-6-19-7-5-14/h4-9H,10H2,1-3H3,(H,21,22)/b20-13+