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

Systemtic Name: 4-[[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(2-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C14H11N5OS MolecularWeight: 297.33504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3

Isomeric SMILES

C1=CC=NC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3

InChI

InChI=1S/C14H11N5OS/c20-11-6-4-10(5-7-11)9-16-19-13(17-18-14(19)21)12-3-1-2-8-15-12/h1-9,16H,(H,18,21)