4-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]methyl]benzoate IUPAC Name: 4-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]methyl]benzoate Formula: C12H11N4O3S- MolecularWeight: 291.30574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-7-10(17)16(13)12(15-14-7)20-6-8-2-4-9(5-3-8)11(18)19/h2-5H,6,13H2,1H3,(H,18,19)/p-1