5-(2-ethoxy-2-oxidanylidene-ethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(2-ethoxy-2-oxidanylidene-ethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-(2-ethoxy-2-oxo-ethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(2-ethoxy-2-oxoethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-(2-ethoxy-2-oxoethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-(2-ethoxy-2-keto-ethyl)-1,2,4-triazole-3-thiolate Formula: C13H14N3O2S- MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1CC2=CC=CC=C2)[S-]

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1CC2=CC=CC=C2)[S-]

InChI

InChI=1S/C13H15N3O2S/c1-2-18-12(17)8-11-14-15-13(19)16(11)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,19)/p-1