6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNN2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNN2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C)C1=O

InChI

InChI=1S/C21H24N4O2S/c1-5-27-17-8-6-7-15(18(17)26)13-22-25-19(23-24-20(25)28)14-9-11-16(12-10-14)21(2,3)4/h6-13,22H,5H2,1-4H3,(H,24,28)