2,6-ditert-butyl-4-(3-dodecan-2-ylsulfanyl-4-methyl-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-methyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[4-methyl-3-(1-methylundecylsulfanyl)-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-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(3-dodecan-2-ylsulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[4-methyl-3-(1-methylundecylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C29H49N3OS MolecularWeight: 487.78386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1C

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NNC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1C

InChI

InChI=1S/C29H49N3OS/c1-10-11-12-13-14-15-16-17-18-21(2)34-27-31-30-26(32(27)9)22-19-23(28(3,4)5)25(33)24(20-22)29(6,7)8/h19-21,30H,10-18H2,1-9H3