4-tert-butyl-2-methyl-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopenta-1,4-diene-1-carboxamide

Systemtic Name: 4-tert-butyl-2-methyl-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopenta-1,4-diene-1-carboxamide Openeye Name: 4-tert-butyl-2-methyl-N-[5-(4-quinolylsulfanyl)-1,3,4-thiadiazol-2-yl]cyclopenta-1,4-diene-1-carboxamide CAS Name: 4-tert-butyl-2-methyl-N-[5-(4-quinolinylthio)-1,3,4-thiadiazol-2-yl]-1-cyclopenta-1,4-dienecarboxamide IUPAC Name: 4-tert-butyl-2-methyl-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopenta-1,4-diene-1-carboxamide Traditional Name: 4-tert-butyl-2-methyl-N-[5-(4-quinolylthio)-1,3,4-thiadiazol-2-yl]cyclopenta-1,4-diene-1-carboxamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C1)C(C)(C)C)C(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C1)C(C)(C)C)C(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C22H22N4OS2/c1-13-11-14(22(2,3)4)12-16(13)19(27)24-20-25-26-21(29-20)28-18-9-10-23-17-8-6-5-7-15(17)18/h5-10,12H,11H2,1-4H3,(H,24,25,27)