ethyl 1-(2-azanyl-5-chloranyl-phenyl)-5-sulfanylidene-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-5-chloranyl-phenyl)-5-sulfanylidene-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(2-amino-5-chloro-phenyl)-5-thioxo-2H-triazole-4-carboxylate CAS Name: 1-(2-amino-5-chlorophenyl)-5-sulfanylidene-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-5-chlorophenyl)-5-sulfanylidene-2H-triazole-4-carboxylate Traditional Name: 1-(2-amino-5-chloro-phenyl)-5-thioxo-2H-triazole-4-carboxylic acid ethyl ester Formula: C11H11ClN4O2S MolecularWeight: 298.74864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN(C1=S)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

CCOC(=O)C1=NNN(C1=S)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C11H11ClN4O2S/c1-2-18-11(17)9-10(19)16(15-14-9)8-5-6(12)3-4-7(8)13/h3-5,15H,2,13H2,1H3