N-[4-(azepan-1-yl)phenyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H31N5O2S MolecularWeight: 465.61094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2S/c1-32-18-17-30-24(20-9-5-4-6-10-20)27-28-25(30)33-19-23(31)26-21-11-13-22(14-12-21)29-15-7-2-3-8-16-29/h4-6,9-14H,2-3,7-8,15-19H2,1H3,(H,26,31)