4-ethyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-ethyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-ethyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-ethyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-ethyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-ethyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C11H12N3OS- MolecularWeight: 234.29748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])COC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1[S-])COC2=CC=CC=C2

InChI

InChI=1S/C11H13N3OS/c1-2-14-10(12-13-11(14)16)8-15-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,16)/p-1