3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O3S/c20-12-4-2-9(15-16-12)13-17-18-14(23)19(13)8-1-3-10-11(7-8)22-6-5-21-10/h1-4,7H,5-6H2,(H,16,20)(H,18,23)