1-(3,4-dimethylphenyl)-5-oxidanylidene-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-5-oxidanylidene-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-5-oxo-N-[5-(2-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-5-oxo-N-[5-(2-pyridinylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-5-oxo-N-[5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-5-keto-N-[5-(2-pyridylmethylthio)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=N4)C

InChI

InChI=1S/C21H21N5O2S2/c1-13-6-7-17(9-14(13)2)26-11-15(10-18(26)27)19(28)23-20-24-25-21(30-20)29-12-16-5-3-4-8-22-16/h3-9,15H,10-12H2,1-2H3,(H,23,24,28)