3,6-ditert-butyl-4-[(3-hydroxyphenyl)amino]-4-sulfanyl-1H-1,3,5-triazine-2-thione; octane

Systemtic Name: 3,6-ditert-butyl-4-[(3-hydroxyphenyl)amino]-4-sulfanyl-1H-1,3,5-triazine-2-thione; octane Openeye Name: 3,6-ditert-butyl-4-(3-hydroxyanilino)-4-sulfanyl-1H-1,3,5-triazine-2-thione; octane CAS Name: 3,6-ditert-butyl-4-(3-hydroxyanilino)-4-mercapto-1H-1,3,5-triazine-2-thione; octane IUPAC Name: 3,6-ditert-butyl-4-(3-hydroxyanilino)-4-sulfanyl-1H-1,3,5-triazine-2-thione; octane Traditional Name: 3,6-ditert-butyl-4-(3-hydroxyanilino)-4-mercapto-1H-s-triazine-2-thione; n-octane Formula: C25H44N4OS2 MolecularWeight: 480.77306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CC(C)(C)C1=NC(N(C(=S)N1)C(C)(C)C)(NC2=CC(=CC=C2)O)S

Isomeric SMILES

CCCCCCCC.CC(C)(C)C1=NC(N(C(=S)N1)C(C)(C)C)(NC2=CC(=CC=C2)O)S

InChI

InChI=1S/C17H26N4OS2.C8H18/c1-15(2,3)13-18-14(23)21(16(4,5)6)17(24,20-13)19-11-8-7-9-12(22)10-11;1-3-5-7-8-6-4-2/h7-10,19,22,24H,1-6H3,(H,18,20,23);3-8H2,1-2H3