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

Systemtic Name: methyl 4-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H14N4O3S/c1-8-11(18)17(14)13(16-15-8)21-7-9-3-5-10(6-4-9)12(19)20-2/h3-6H,7,14H2,1-2H3