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

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

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC(=C2)C)C

InChI

InChI=1S/C16H21N3O2S/c1-4-21-15(20)9-6-10-22-16-18-17-13(3)19(16)14-8-5-7-12(2)11-14/h5,7-8,11H,4,6,9-10H2,1-3H3