3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C13H11N4O4S- MolecularWeight: 319.31584

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC(=CN=N3)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC(=CN=N3)[O-]

InChI

InChI=1S/C13H12N4O4S/c18-11-6-14-17-13(16-11)22-7-12(19)15-8-1-2-9-10(5-8)21-4-3-20-9/h1-2,5-6H,3-4,7H2,(H,15,19)(H,16,17,18)/p-1