4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-chloranyl-6-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-chloranyl-6-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-chloro-6-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-chloro-6-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-2-chloro-6-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-2-chloro-6-hydroxy-cyclohexa-2,5-dien-1-one Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O2S/c1-13(2,3)11-16-17-12(21)18(11)15-6-7-4-8(14)10(20)9(19)5-7/h4-6,15,19H,1-3H3,(H,17,21)