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

Systemtic Name: 2,6-ditert-butyl-4-[5-(phenylmethylsulfanyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-(5-benzylsulfanyl-3H-1,3,4-thiadiazol-2-ylidene)-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[5-(phenylmethylthio)-3H-1,3,4-thiadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(5-benzylsulfanyl-3H-1,3,4-thiadiazol-2-ylidene)-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(benzylthio)-3H-1,3,4-thiadiazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C23H28N2OS2 MolecularWeight: 412.61122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NN=C(S2)SCC3=CC=CC=C3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NN=C(S2)SCC3=CC=CC=C3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C23H28N2OS2/c1-22(2,3)17-12-16(13-18(19(17)26)23(4,5)6)20-24-25-21(28-20)27-14-15-10-8-7-9-11-15/h7-13,24H,14H2,1-6H3