ethyl 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamothioylsulfanyl]propanoate

Systemtic Name: ethyl 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamothioylsulfanyl]propanoate Openeye Name: ethyl 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamothioylsulfanyl]propanoate CAS Name: 3-[[[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]-sulfanylidenemethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)carbamothioylsulfanyl]propanoate Traditional Name: 3-[[3-(methylthio)-1H-1,2,4-triazol-5-yl]thiocarbamoylthio]propionic acid ethyl ester Formula: C9H14N4O2S3 MolecularWeight: 306.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=S)NC1=NC(=NN1)SC

Isomeric SMILES

CCOC(=O)CCSC(=S)NC1=NC(=NN1)SC

InChI

InChI=1S/C9H14N4O2S3/c1-3-15-6(14)4-5-18-9(16)11-7-10-8(17-2)13-12-7/h3-5H2,1-2H3,(H2,10,11,12,13,16)