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

Systemtic Name: 2,6-ditert-butyl-4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[5-[(3,4-dichlorophenyl)methylthio]-3H-1,3,4-thiadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[5-[(3,4-dichlorobenzyl)thio]-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H26Cl2N2OS2 MolecularWeight: 481.50134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N2OS2/c1-22(2,3)15-10-14(11-16(19(15)28)23(4,5)6)20-26-27-21(30-20)29-12-13-7-8-17(24)18(25)9-13/h7-11,26H,12H2,1-6H3