3-[3-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C15H17BrN6O2S MolecularWeight: 425.30348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C15H17BrN6O2S/c16-10-3-4-12(18-7-10)19-13(24)8-25-15-21-20-14(9-1-2-9)22(15)6-5-11(17)23/h3-4,7,9H,1-2,5-6,8H2,(H2,17,23)(H,18,19,24)