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

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

CC1=C(C=C(C=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C3=NN=C(S3)NC(=O)C4=CC=C(C=C4)Br)C

InChI

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