ethyl 2-phenyl-3-sulfanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 2-phenyl-3-sulfanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 2-phenyl-3-thioxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-phenyl-3-sulfanylidene-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-3-sulfanylidene-1H-1,2,4-triazole-5-carboxylate Traditional Name: 2-phenyl-3-thioxo-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=S)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NC(=S)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O2S/c1-2-16-10(15)9-12-11(17)14(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,17)