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

Systemtic Name: 4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1NC=C2C=CC(=O)C(=C2)O

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1NC=C2C=CC(=O)C(=C2)O

InChI

InChI=1S/C13H16N4O2S/c1-13(2,3)11-15-16-12(20)17(11)14-7-8-4-5-9(18)10(19)6-8/h4-7,14,19H,1-3H3,(H,16,20)