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

Systemtic Name: N-(4-phenoxyphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-phenoxyphenyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-phenoxyphenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-phenoxyphenyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H27N5O2S MolecularWeight: 485.60058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c33-26(28-21-13-15-24(16-14-21)34-23-11-5-2-6-12-23)20-35-27-30-29-25(19-31-17-7-8-18-31)32(27)22-9-3-1-4-10-22/h1-6,9-16H,7-8,17-20H2,(H,28,33)