4-bromanyl-N-[5-[1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[5-[1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[1-(2-ethylphenyl)-5-oxo-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[1-(2-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[1-(2-ethylphenyl)-5-keto-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC=CC=C1N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-2-13-5-3-4-6-17(13)26-12-15(11-18(26)27)20-24-25-21(29-20)23-19(28)14-7-9-16(22)10-8-14/h3-10,15H,2,11-12H2,1H3,(H,23,25,28)