4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=C4C=CC(=O)C=C4)NNC3=S

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=C4C=CC(=O)C=C4)NNC3=S

InChI

InChI=1S/C16H13N3O3S/c20-12-4-1-10(2-5-12)15-17-18-16(23)19(15)11-3-6-13-14(9-11)22-8-7-21-13/h1-6,9,17H,7-8H2,(H,18,23)