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

Systemtic Name: ethyl 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O2S/c1-2-26-18(25)9-6-14-27-20-23-22-19(15-7-4-3-5-8-15)24(20)17-12-10-16(21)11-13-17/h3-5,7-8,10-13H,2,6,9,14H2,1H3