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

Systemtic Name: 2,6-ditert-butyl-4-(3-dodecan-2-ylsulfanyl-4-octadecyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[3-(1-methylundecylsulfanyl)-4-octadecyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[3-(dodecan-2-ylthio)-4-octadecyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(3-dodecan-2-ylsulfanyl-4-octadecyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[3-(1-methylundecylthio)-4-stearyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C46H83N3OS MolecularWeight: 726.23572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NN=C1SC(C)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NN=C1SC(C)CCCCCCCCCC

InChI

InChI=1S/C46H83N3OS/c1-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-49-43(39-36-40(45(4,5)6)42(50)41(37-39)46(7,8)9)47-48-44(49)51-38(3)34-32-30-28-19-17-15-13-11-2/h36-38,47H,10-35H2,1-9H3