(4-methylphenyl) 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (4-methylphenyl) 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: p-tolyl 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid p-tolyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C18H17N3O2S/c1-13-3-7-15(8-4-13)21-12-19-20-18(21)24-11-17(22)23-16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3