2,6-ditert-butyl-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[[(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNN2C(=NNC2=S)C3=CC=CC=C3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNN2C(=NNC2=S)C3=CC=CC=C3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C23H28N4OS/c1-22(2,3)17-12-15(13-18(19(17)28)23(4,5)6)14-24-27-20(25-26-21(27)29)16-10-8-7-9-11-16/h7-14,24H,1-6H3,(H,26,29)