methyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl 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)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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