2,6-ditert-butyl-4-(3-cyclohexylsulfanyl-5-pyridin-4-yl-2H-1,2,3-triazol-4-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(3-cyclohexylsulfanyl-5-pyridin-4-yl-2H-1,2,3-triazol-4-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[3-cyclohexylsulfanyl-5-(4-pyridyl)-2H-triazol-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[3-(cyclohexylthio)-5-pyridin-4-yl-2H-triazol-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(3-cyclohexylsulfanyl-5-pyridin-4-yl-2H-triazol-4-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[3-(cyclohexylthio)-5-(4-pyridyl)-2H-triazol-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=NNN2SC3CCCCC3)C4=CC=NC=C4)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=NNN2SC3CCCCC3)C4=CC=NC=C4)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H36N4OS/c1-26(2,3)21-16-19(17-22(25(21)32)27(4,5)6)24-23(18-12-14-28-15-13-18)29-30-31(24)33-20-10-8-7-9-11-20/h12-17,20,30H,7-11H2,1-6H3