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

Systemtic Name: 2,6-ditert-butyl-4-(5-methylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(5-methylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[5-(methylthio)-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(5-methylsulfanyl-1,2-dihydro-1,2,4-triazol-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[5-(methylthio)-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NNC(=N2)SC)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NNC(=N2)SC)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C17H25N3OS/c1-16(2,3)11-8-10(14-18-15(22-7)20-19-14)9-12(13(11)21)17(4,5)6/h8-9,19H,1-7H3,(H,18,20)