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

Systemtic Name: ethyl 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1C)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(N1C)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N3O2S/c1-5-13(15(20)21-6-2)22-16-18-17-14(19(16)4)12-9-7-11(3)8-10-12/h7-10,13H,5-6H2,1-4H3