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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-12-7-9-13(10-8-12)19-15(17-18-16(19)21)11-20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,21)/p-1