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

Systemtic Name: methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamothioylamino)butanoate Openeye Name: methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamothioylamino)butanoate CAS Name: 4-[[sulfanylidene-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamothioylamino)butanoate Traditional Name: 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylthiocarbamoylamino)butyric acid methyl ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O2S/c1-20-12(19)6-4-7-14-13(21)15-9-11-17-16-10-5-2-3-8-18(10)11/h2-3,5,8H,4,6-7,9H2,1H3,(H2,14,15,21)