2,6-ditert-butyl-4-[[(3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[[(3-cyclopropyl-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-cyclopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C20H28N4OS MolecularWeight: 372.52752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNN2C(=NNC2=S)C3CC3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNN2C(=NNC2=S)C3CC3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C20H28N4OS/c1-19(2,3)14-9-12(10-15(16(14)25)20(4,5)6)11-21-24-17(13-7-8-13)22-23-18(24)26/h9-11,13,21H,7-8H2,1-6H3,(H,23,26)