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

Systemtic Name: 4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS/c1-13(2,3)11-15-16-12(19)17(11)14-8-9-4-6-10(18)7-5-9/h4-8,14H,1-3H3,(H,16,19)