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

Systemtic Name: 6-oxidanylidene-3-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-1,4-dien-1-olate Openeye Name: 6-oxo-3-[[[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-1,4-dien-1-olate CAS Name: 6-oxo-3-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-1,4-dienolate IUPAC Name: 6-oxo-3-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-1,4-dien-1-olate Traditional Name: 6-keto-3-[[[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/c21-13-7-6-11(8-14(13)22)9-17-20-15(18-19-16(20)24)10-23-12-4-2-1-3-5-12/h1-9,17,22H,10H2,(H,19,24)/p-1