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

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

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)OCC

InChI

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