5-[(4-methylphenyl)sulfanylmethyl]-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-[(4-methylphenyl)sulfanylmethyl]-1-(4-propan-2-ylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(4-isopropylphenyl)-5-(p-tolylsulfanylmethyl)triazole-4-carboxylate CAS Name: 5-[[(4-methylphenyl)thio]methyl]-1-(4-propan-2-ylphenyl)-4-triazolecarboxylate IUPAC Name: 5-[(4-methylphenyl)sulfanylmethyl]-1-(4-propan-2-ylphenyl)triazole-4-carboxylate Traditional Name: 1-p-cumenyl-5-[(p-tolylthio)methyl]triazole-4-carboxylate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=CC=C(C=C3)C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=CC=C(C=C3)C(C)C)C(=O)[O-]

InChI

InChI=1S/C20H21N3O2S/c1-13(2)15-6-8-16(9-7-15)23-18(19(20(24)25)21-22-23)12-26-17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,24,25)/p-1