7-phenyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptan-1-one

Systemtic Name: 7-phenyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptan-1-one Openeye Name: 7-phenyl-1-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]heptan-1-one CAS Name: 7-phenyl-1-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-heptanone IUPAC Name: 7-phenyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptan-1-one Traditional Name: 7-phenyl-1-[5-(2-pyridyl)-1,3,4-thiadiazol-2-yl]heptan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=C(S2)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=C(S2)C3=CC=CC=N3

InChI

InChI=1S/C20H21N3OS/c24-18(14-7-2-1-4-10-16-11-5-3-6-12-16)20-23-22-19(25-20)17-13-8-9-15-21-17/h3,5-6,8-9,11-13,15H,1-2,4,7,10,14H2