3-oxidanylidene-6-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-1,4-dien-1-olate

Systemtic Name: 3-oxidanylidene-6-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-1,4-dien-1-olate Openeye Name: 3-oxo-6-[[[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-1,4-dien-1-olate CAS Name: 3-oxo-6-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-1,4-dienolate IUPAC Name: 3-oxo-6-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-1,4-dien-1-olate Traditional Name: 3-keto-6-[[[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-1,4-dien-1-olate Formula: C16H13N4O3S- MolecularWeight: 341.36442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NNC(=S)N2NC=C3C=CC(=O)C=C3[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NNC(=S)N2NC=C3C=CC(=O)C=C3[O-]

InChI

InChI=1S/C16H14N4O3S/c21-12-7-6-11(14(22)8-12)9-17-20-15(18-19-16(20)24)10-23-13-4-2-1-3-5-13/h1-9,17,22H,10H2,(H,19,24)/p-1