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

Systemtic Name: 3-oxidanyl-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 3-hydroxy-4-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3-hydroxy-4-[[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNN2C(=NNC2=S)C3=CC=NC=C3)C(=CC1=O)O

Isomeric SMILES

C1=CC(=CNN2C(=NNC2=S)C3=CC=NC=C3)C(=CC1=O)O

InChI

InChI=1S/C14H11N5O2S/c20-11-2-1-10(12(21)7-11)8-16-19-13(17-18-14(19)22)9-3-5-15-6-4-9/h1-8,16,21H,(H,18,22)