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

Systemtic Name: methyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-13-9-11-16(12-10-13)22-17(15-7-5-4-6-8-15)20-21-19(22)25-14(2)18(23)24-3/h4-12,14H,1-3H3