5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-4-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C20H22N3OS- MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c1-14-6-5-7-16(12-14)23-18(21-22-19(23)25)13-24-17-10-8-15(9-11-17)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)/p-1