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

Systemtic Name: 5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(phenoxymethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C16H14N3OS- MolecularWeight: 296.36686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c21-16-18-17-15(12-20-14-9-5-2-6-10-14)19(16)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21)/p-1