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

Systemtic Name: ethyl 4-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2S/c1-3-21-14(20)8-5-9-22-15-18-17-11(2)19(15)13-7-4-6-12(16)10-13/h4,6-7,10H,3,5,8-9H2,1-2H3