2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C23H25N5O2S MolecularWeight: 435.5419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O2S/c29-21(24-17-8-12-20(13-9-17)30-19-6-2-1-3-7-19)16-31-23-26-25-22(27-14-4-5-15-27)28(23)18-10-11-18/h1-3,6-9,12-13,18H,4-5,10-11,14-16H2,(H,24,29)