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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H31N5OS/c1-2-3-6-15-26-17-22-24-21(26)28-16-20(27)23-18-9-11-19(12-10-18)25-13-7-4-5-8-14-25/h9-12,17H,2-8,13-16H2,1H3,(H,23,27)