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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrrolidinophenyl)acetamide Formula: C22H25N5OS2 MolecularWeight: 439.5968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

InChI

InChI=1S/C22H25N5OS2/c28-21(23-18-7-1-2-8-19(18)26-11-3-4-12-26)15-30-22-25-24-20(27(22)16-9-10-16)14-17-6-5-13-29-17/h1-2,5-8,13,16H,3-4,9-12,14-15H2,(H,23,28)