[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4OS/c19-14-8-9-16(20-12-14)22-17(24)13-25-18(23-10-4-5-11-23)21-15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,20,22,24)