3-[(5-bromanylpyridin-2-yl)-(pyridin-3-ylmethyl)amino]propanethioamide

Systemtic Name: 3-[(5-bromanylpyridin-2-yl)-(pyridin-3-ylmethyl)amino]propanethioamide Openeye Name: 3-[(5-bromo-2-pyridyl)-(3-pyridylmethyl)amino]propanethioamide CAS Name: 3-[(5-bromo-2-pyridinyl)-(3-pyridinylmethyl)amino]propanethioamide IUPAC Name: 3-[(5-bromopyridin-2-yl)-(pyridin-3-ylmethyl)amino]propanethioamide Traditional Name: 3-[(5-bromo-2-pyridyl)-(3-pyridylmethyl)amino]thiopropionamide Formula: C14H15BrN4S MolecularWeight: 351.2647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC(=S)N)C2=NC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC(=S)N)C2=NC=C(C=C2)Br

InChI

InChI=1S/C14H15BrN4S/c15-12-3-4-14(18-9-12)19(7-5-13(16)20)10-11-2-1-6-17-8-11/h1-4,6,8-9H,5,7,10H2,(H2,16,20)