2,6-ditert-butyl-4-[5-(2-diethylaminoethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[5-(2-diethylaminoethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[5-(2-diethylaminoethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[5-(2-diethylaminoethylthio)-3H-1,3,4-thiadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[5-(2-diethylaminoethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[5-(2-diethylaminoethylthio)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H35N3OS2 MolecularWeight: 421.6628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)S1

Isomeric SMILES

CCN(CC)CCSC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)S1

InChI

InChI=1S/C22H35N3OS2/c1-9-25(10-2)11-12-27-20-24-23-19(28-20)15-13-16(21(3,4)5)18(26)17(14-15)22(6,7)8/h13-14,23H,9-12H2,1-8H3