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

Systemtic Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3O

InChI

InChI=1S/C19H20N4O2S/c1-19(2,3)14-7-4-12(5-8-14)17-21-22-18(26)23(17)20-11-13-6-9-15(24)10-16(13)25/h4-11,20,25H,1-3H3,(H,22,26)