1-[5-(6-bromanylpyridin-2-yl)-1,3,4-thiadiazol-2-yl]-7-phenyl-heptan-1-one

Systemtic Name: 1-[5-(6-bromanylpyridin-2-yl)-1,3,4-thiadiazol-2-yl]-7-phenyl-heptan-1-one Openeye Name: 1-[5-(6-bromo-2-pyridyl)-1,3,4-thiadiazol-2-yl]-7-phenyl-heptan-1-one CAS Name: 1-[5-(6-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-7-phenyl-1-heptanone IUPAC Name: 1-[5-(6-bromopyridin-2-yl)-1,3,4-thiadiazol-2-yl]-7-phenylheptan-1-one Traditional Name: 1-[5-(6-bromo-2-pyridyl)-1,3,4-thiadiazol-2-yl]-7-phenyl-heptan-1-one Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=C(S2)C3=NC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=C(S2)C3=NC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c21-18-14-8-12-16(22-18)19-23-24-20(26-19)17(25)13-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-12,14H,1-2,4,7,9,13H2