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

Systemtic Name: methyl 3-[2-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CC(=O)N2N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CC(=O)N2N

InChI

InChI=1S/C13H13N5O4S/c1-22-12(21)8-3-2-4-9(5-8)16-10(19)7-23-13-17-15-6-11(20)18(13)14/h2-6H,7,14H2,1H3,(H,16,19)