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

Systemtic Name: 6-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-chloranyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-chloro-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(3-tert-butyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(3-tert-butyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C13H14ClN5O3S MolecularWeight: 355.79996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14ClN5O3S/c1-13(2,3)11-16-17-12(23)18(11)15-6-7-4-8(14)5-9(10(7)20)19(21)22/h4-6,15H,1-3H3,(H,17,23)