butyl 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H31N3O4S/c1-4-5-13-29-20(26)15-30-22-24-23-21(25(22)17-9-7-6-8-10-17)16-11-12-18(27-2)19(14-16)28-3/h11-12,14,17H,4-10,13,15H2,1-3H3