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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(piperonylamino)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)[O-]

InChI

InChI=1S/C14H14N4O4S/c1-8-13(20)16-14(18-17-8)23-6-12(19)15-5-9-2-3-10-11(4-9)22-7-21-10/h2-4H,5-7H2,1H3,(H,15,19)(H,16,18,20)/p-1