2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H28N4O4S MolecularWeight: 420.52572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C(=O)N)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H28N4O4S/c1-12(18(21)25)29-20-23-22-19(24(20)14-8-6-5-7-9-14)13-10-15(26-2)17(28-4)16(11-13)27-3/h10-12,14H,5-9H2,1-4H3,(H2,21,25)