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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-7-12(19)15-13(17-16-7)22-5-11(18)14-8-2-3-9-10(4-8)21-6-20-9/h2-4H,5-6H2,1H3,(H,14,18)(H,15,17,19)/p-1