2,6-ditert-butyl-4-[(6-sulfanylidene-2,3-dihydro-1H-1,2,3-triazin-4-yl)imino]cyclohexa-2,5-dien-1-one; octane

Systemtic Name: 2,6-ditert-butyl-4-[(6-sulfanylidene-2,3-dihydro-1H-1,2,3-triazin-4-yl)imino]cyclohexa-2,5-dien-1-one; octane Openeye Name: 2,6-ditert-butyl-4-[(6-thioxo-2,3-dihydro-1H-triazin-4-yl)imino]cyclohexa-2,5-dien-1-one; octane CAS Name: 2,6-ditert-butyl-4-[(6-sulfanylidene-2,3-dihydro-1H-triazin-4-yl)imino]-1-cyclohexa-2,5-dienone; octane IUPAC Name: 2,6-ditert-butyl-4-[(6-sulfanylidene-2,3-dihydro-1H-triazin-4-yl)imino]cyclohexa-2,5-dien-1-one; octane Traditional Name: 2,6-ditert-butyl-4-[(6-thioxo-2,3-dihydro-1H-triazin-4-yl)imino]cyclohexa-2,5-dien-1-one; n-octane Formula: C25H42N4OS MolecularWeight: 446.69218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CC(C)(C)C1=CC(=NC2=CC(=S)NNN2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CCCCCCCC.CC(C)(C)C1=CC(=NC2=CC(=S)NNN2)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C17H24N4OS.C8H18/c1-16(2,3)11-7-10(8-12(15(11)22)17(4,5)6)18-13-9-14(23)20-21-19-13;1-3-5-7-8-6-4-2/h7-9,19,21H,1-6H3,(H,20,23);3-8H2,1-2H3