methyl 7-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]heptanoate

Systemtic Name: methyl 7-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]heptanoate Openeye Name: methyl 7-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]heptanoate CAS Name: 7-[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]heptanoate Traditional Name: 7-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]enanthic acid methyl ester Formula: C15H26N4O3S MolecularWeight: 342.45694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C15H26N4O3S/c1-3-8-12-17-18-15(23)19(12)11-13(20)16-10-7-5-4-6-9-14(21)22-2/h3-11H2,1-2H3,(H,16,20)(H,18,23)