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

Systemtic Name: 4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-ethylphenyl)-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C17H16N3OS- MolecularWeight: 310.39344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-2-13-8-10-14(11-9-13)20-16(18-19-17(20)22)12-21-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,19,22)/p-1