chloranylethane; 4-(2-chloroethyl)-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid

Systemtic Name: chloranylethane; 4-(2-chloroethyl)-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid Openeye Name: chloroethane; 4-(2-chloroethyl)-5-thioxo-1H-1,2,4-triazole-3-carboxylic acid CAS Name: chloroethane; 4-(2-chloroethyl)-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid IUPAC Name: chloroethane; 4-(2-chloroethyl)-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid Traditional Name: chloroethane; 4-(2-chloroethyl)-5-thioxo-1H-1,2,4-triazole-3-carboxylic acid Formula: C7H11Cl2N3O2S MolecularWeight: 272.15214

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Descriptors Computed from Structure

Canonical SMILES:

CCCl.C(CCl)N1C(=NNC1=S)C(=O)O

Isomeric SMILES

CCCl.C(CCl)N1C(=NNC1=S)C(=O)O

InChI

InChI=1S/C5H6ClN3O2S.C2H5Cl/c6-1-2-9-3(4(10)11)7-8-5(9)12;1-2-3/h1-2H2,(H,8,12)(H,10,11);2H2,1H3