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

Systemtic Name: 4-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c21-13-8-6-12(7-9-13)10-17-20-15(18-19-16(20)23)11-22-14-4-2-1-3-5-14/h1-10,17H,11H2,(H,19,23)