ethyl 5-methylsulfanyl-1-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-1-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-methylsulfanyl-1-phenyl-triazole-4-carboxylate CAS Name: 5-(methylthio)-1-phenyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-1-phenyltriazole-4-carboxylate Traditional Name: 5-(methylthio)-1-phenyl-triazole-4-carboxylic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2)SC

InChI

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