methyl 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamothioylamino)hexanoate Openeye Name: methyl 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamothioylamino)hexanoate CAS Name: 6-[[sulfanylidene-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamothioylamino)hexanoate Traditional Name: 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylthiocarbamoylamino)hexanoic acid methyl ester Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NCC1=NN=C2N1C=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NCC1=NN=C2N1C=CC=C2

InChI

InChI=1S/C15H21N5O2S/c1-22-14(21)8-3-2-5-9-16-15(23)17-11-13-19-18-12-7-4-6-10-20(12)13/h4,6-7,10H,2-3,5,8-9,11H2,1H3,(H2,16,17,23)