2,6-ditert-butyl-4-(5-dodecan-2-ylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(5-dodecan-2-ylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[5-(1-methylundecylsulfanyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[5-(dodecan-2-ylthio)-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(5-dodecan-2-ylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[5-(1-methylundecylthio)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H47N3OS MolecularWeight: 473.75728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NN1

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NN1

InChI

InChI=1S/C28H47N3OS/c1-9-10-11-12-13-14-15-16-17-20(2)33-26-29-25(30-31-26)21-18-22(27(3,4)5)24(32)23(19-21)28(6,7)8/h18-20,30H,9-17H2,1-8H3,(H,29,31)