1-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]butan-1-one

Systemtic Name: 1-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]butan-1-one Openeye Name: 1-[2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]sulfanyl]phenyl]butan-1-one CAS Name: 1-[2-[[3-[(E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]phenyl]-1-butanone IUPAC Name: 1-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]butan-1-one Traditional Name: 1-[2-[[3-[(E)-2-(2-pyridyl)vinyl]-1H-indazol-6-yl]thio]phenyl]butan-1-one Formula: C24H21N3OS MolecularWeight: 399.50804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4

Isomeric SMILES

CCCC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C24H21N3OS/c1-2-7-23(28)20-9-3-4-10-24(20)29-18-12-13-19-21(26-27-22(19)16-18)14-11-17-8-5-6-15-25-17/h3-6,8-16H,2,7H2,1H3,(H,26,27)/b14-11+