methyl 3-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5,6-diethyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5,6-diethyl-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CC

Isomeric SMILES

CCC1=C(N=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CC

InChI

InChI=1S/C17H20N4O3S/c1-4-13-14(5-2)20-21-17(19-13)25-10-15(22)18-12-8-6-7-11(9-12)16(23)24-3/h6-9H,4-5,10H2,1-3H3,(H,18,22)