ethyl 3-[(5-azanyl-3-piperidin-1-yl-1,2,4-triazol-1-yl)carbothioylsulfanyl]propanoate

Systemtic Name: ethyl 3-[(5-azanyl-3-piperidin-1-yl-1,2,4-triazol-1-yl)carbothioylsulfanyl]propanoate Openeye Name: ethyl 3-[5-amino-3-(1-piperidyl)-1,2,4-triazole-1-carbothioyl]sulfanylpropanoate CAS Name: 3-[[[5-amino-3-(1-piperidinyl)-1,2,4-triazol-1-yl]-sulfanylidenemethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-amino-3-piperidin-1-yl-1,2,4-triazole-1-carbothioyl)sulfanylpropanoate Traditional Name: 3-[(5-amino-3-piperidino-1,2,4-triazole-1-carbothioyl)thio]propionic acid ethyl ester Formula: C13H21N5O2S2 MolecularWeight: 343.46814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=S)N1C(=NC(=N1)N2CCCCC2)N

Isomeric SMILES

CCOC(=O)CCSC(=S)N1C(=NC(=N1)N2CCCCC2)N

InChI

InChI=1S/C13H21N5O2S2/c1-2-20-10(19)6-9-22-13(21)18-11(14)15-12(16-18)17-7-4-3-5-8-17/h2-9H2,1H3,(H2,14,15,16)