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

Systemtic Name: 4-bromanyl-N-[5-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[5-oxo-1-(p-tolyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-[5-keto-1-(p-tolyl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN4O2S/c1-12-2-8-16(9-3-12)25-11-14(10-17(25)26)19-23-24-20(28-19)22-18(27)13-4-6-15(21)7-5-13/h2-9,14H,10-11H2,1H3,(H,22,24,27)