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

Systemtic Name: ethyl 5-methyl-2-phenyl-3-sulfanylidene-1,2,4-triazole-1-carboxylate Openeye Name: ethyl 5-methyl-2-phenyl-3-thioxo-1,2,4-triazole-1-carboxylate CAS Name: 5-methyl-2-phenyl-3-sulfanylidene-1,2,4-triazole-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-phenyl-3-sulfanylidene-1,2,4-triazole-1-carboxylate Traditional Name: 5-methyl-2-phenyl-3-thioxo-1,2,4-triazole-1-carboxylic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=NC(=S)N1C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)N1C(=NC(=S)N1C2=CC=CC=C2)C

InChI

InChI=1S/C12H13N3O2S/c1-3-17-12(16)14-9(2)13-11(18)15(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3