2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenyl-2-pyrrolidino-ethyl)acetamide Formula: C23H27N5O2S MolecularWeight: 437.55778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCC(C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCC(C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C23H27N5O2S/c1-30-20-11-9-19(10-12-20)28-17-25-26-23(28)31-16-22(29)24-15-21(27-13-5-6-14-27)18-7-3-2-4-8-18/h2-4,7-12,17,21H,5-6,13-16H2,1H3,(H,24,29)