methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]methyl]benzoic acid methyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C16H16N4O2S/c1-10-8-11(2)20-15(17-10)18-19-16(20)23-9-12-4-6-13(7-5-12)14(21)22-3/h4-8H,9H2,1-3H3