1-(4-bromanylpyridin-2-yl)-3-[5-[4-(cyanomethyl)phenyl]thiophen-2-yl]sulfonyl-urea

Systemtic Name: 1-(4-bromanylpyridin-2-yl)-3-[5-[4-(cyanomethyl)phenyl]thiophen-2-yl]sulfonyl-urea Openeye Name: 1-(4-bromo-2-pyridyl)-3-[[5-[4-(cyanomethyl)phenyl]-2-thienyl]sulfonyl]urea CAS Name: 1-(4-bromo-2-pyridinyl)-3-[[5-[4-(cyanomethyl)phenyl]-2-thiophenyl]sulfonyl]urea IUPAC Name: 1-(4-bromopyridin-2-yl)-3-[5-[4-(cyanomethyl)phenyl]thiophen-2-yl]sulfonylurea Traditional Name: 1-(4-bromo-2-pyridyl)-3-[[5-[4-(cyanomethyl)phenyl]-2-thienyl]sulfonyl]urea Formula: C18H13BrN4O3S2 MolecularWeight: 477.35482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)C2=CC=C(S2)S(=O)(=O)NC(=O)NC3=NC=CC(=C3)Br

Isomeric SMILES

C1=CC(=CC=C1CC#N)C2=CC=C(S2)S(=O)(=O)NC(=O)NC3=NC=CC(=C3)Br

InChI

InChI=1S/C18H13BrN4O3S2/c19-14-8-10-21-16(11-14)22-18(24)23-28(25,26)17-6-5-15(27-17)13-3-1-12(2-4-13)7-9-20/h1-6,8,10-11H,7H2,(H2,21,22,23,24)