ethyl 3-imidazol-1-ylcarbothioylsulfanylpropanoate

Systemtic Name: ethyl 3-imidazol-1-ylcarbothioylsulfanylpropanoate Openeye Name: ethyl 3-(imidazole-1-carbothioylsulfanyl)propanoate CAS Name: 3-[[1-imidazolyl(sulfanylidene)methyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(imidazole-1-carbothioylsulfanyl)propanoate Traditional Name: 3-(imidazole-1-carbothioylthio)propionic acid ethyl ester Formula: C9H12N2O2S2 MolecularWeight: 244.33378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=S)N1C=CN=C1

Isomeric SMILES

CCOC(=O)CCSC(=S)N1C=CN=C1

InChI

InChI=1S/C9H12N2O2S2/c1-2-13-8(12)3-6-15-9(14)11-5-4-10-7-11/h4-5,7H,2-3,6H2,1H3