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

Systemtic Name: 4-[[[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-4-[[[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[[[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-4-[[[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[[[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3O

Isomeric SMILES

CC1=CC(=NN1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3O

InChI

InChI=1S/C13H12N6O2S/c1-7-4-10(16-15-7)12-17-18-13(22)19(12)14-6-8-2-3-9(20)5-11(8)21/h2-6,14,21H,1H3,(H,15,16)(H,18,22)