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

Systemtic Name: 1-(2,3-dimethylphenyl)-5-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2S2/c1-14-7-6-10-18(15(14)2)26-12-17(11-19(26)27)20(28)23-21-24-25-22(30-21)29-13-16-8-4-3-5-9-16/h3-10,17H,11-13H2,1-2H3,(H,23,24,28)